QUANTITATIVE MINERALOGY OF SANDSTONES BY X-RAY DIFFRACTOMETRY AND NORMATIVE
ANALYSIS
COLIN R. WARD1, JOHN C. TAYLOR2, AND DAVID R. COHEN1
1
School of Geology, University of New South Wales, Sydney, NSW 2052, Australia
2 CSIRO Division of Energy Technology, Lucas Heights Research Laboratories, Private Mail Bag 7, Menai, NSW 2234, Australia
ABSTRACT: Quantitative X-ray diffraction, normative calculation, and
whole-rock chemical analysis have been compared for Permo-Triassic
quartz-lithic to litho-feldspathic sandstones from eastern Australia.
The quantitative XRD technique provides mineralogical percentages
that correlate well with the chemical composition of the sandstones,
and also with most of the mineral percentages derived from normative
calculation. The need for assumptions on potassium distribution be-
tween minerals provides a limitation on estimates of K-feldspar and
illite using the normative technique, although these can be improved
on a sample-specific basis if necessary using complementary thin-sec-
tion observations or qualitative X-ray diffractograms. Quantitative
XRD analysis possibly indicates a small proportion of amorphous ma-
terial in some of the sandstones, especially materials with abundant
lithic fragments or clay minerals, but the proportion of any amorphous
material overall is probably negligible. Both quantitative XRD and
normative calculation avoid problems associated with sample hetero-
geneity or operator inconsistency that may affect point counting of thin
sections. They can also be used to provide quantitative information on
sediments with abundant rock fragments or matrix components, the
actual mineralogy of which is not resolvable in conventional micro-
scope investigations.
INTRODUCTION
Petrological analysis of coarse-grained sedimentary rocks such as sand-
stone has traditionally been based on optical microscopy using point-count
techniques. This is useful for classification, provenance determination, and
similar applications (e.g., Pettijohn 1975; Dickinson and Suczek 1979). It
does not, however, provide a true mineralogical analysis, which may be of
additional value for these or other purposes, such as diagenesis studies and
hydrocarbon reservoir evaluations (e.g., Ferrell et al. 1998; Bjørlykke 1998).
As an example, rock fragments and matrix components are usually treated
as separate phases in point counting, with no attempt to include the constit-
uent fine-grained or closely intergrown minerals in the analysis results.
Point-count analyses may be affected to some extent by three-dimensional
heterogeneities in mineral distribution. The results may also be operator-
dependent. Estimation of components present in small proportions is difficult
unless more than 500 points are counted (Van der Plas and Tobi 1965), which
adds to the time and cost of the determination. Powder-based techniques such
as X-ray diffraction and chemical analysis are less likely to be affected by
heterogeneity because a larger, more representative sample can be incorpo-
rated. Modern instrumental methods also allow large numbers of samples to
be analyzed on a consistent basis at relatively low cost. More samples can
be included to cover any compositional variability involved.
Quantitative mineralogical (as opposed to petrographic) analysis has not
been used extensively for studies of sandstones, partly because of difficul-
ties in developing a suitable technique. Such an approach, however, offers
a more direct link than thin-section studies to the bulk chemical compo-
sition of sedimentary materials, the importance of which is discussed by
authors such as Roser and Korsch (1986), Boggs (1992), and Bellon et al.
(1994). Mineralogical analysis of sandstones can provide an additional tool
for studies of provenance and diagenesis, adding information on compo-
nents otherwise identified simply as rock fragments and matrix. It may also
be of value in relating geophysical log responses and other properties more
JOURNAL OF SEDIMENTARY RESEARCH, VOL. 69, NO. 5, SEPTEMBER, 1999, P. 1050–1062
Copyright q 1999, SEPM (Society for Sedimentary Geology) 1073-130X/99/069-1050/$03.00
specifically to rock characteristics in petroleum, geotechnical, and remote-
sensing studies.
Quantitative X-Ray Diffractometry
X-ray diffractometry is well accepted as a definitive tool for mineral
identification, but it has traditionally been thought to have limitations in
quantitative mineralogical analysis. These include effects on diffractogram
characteristics caused by variations in mineral crystallinity, preferred ori-
entation in the sample mount, and differential absorption of X-rays by the
minerals in the mixture. Several methods have been proposed, nevertheless,
to provide quantitative mineralogical analyses of rocks and related sub-
stances based on X-ray diffractometry (Griffin 1971; Klug and Alexander
1974; Hardy and Tucker 1988; Bish and Post 1989).
The full profile of an XRD pattern provides considerably more information
for mineral quantification than the integrated intensities of particular resolved
lines (diffractogram peaks). Rietveld (1969) developed a formula to give the
intensity at any point in the scan of a single mineral, with information on
how to refine relevant crystal structure and instrumental parameters by least-
squares analysis of the profile. Some 14 instrumental parameters were iden-
tified, including the mineral (phase) scaling factor, asymmetry, preferred ori-
entation, half-width, instrument zero, line shape, and unit-cell parameters.
This approach has been extended to quantify mixtures of minerals using the
full XRD profile by authors such as Hill and Howard (1987), O’Connor and
Raven (1988), Bish and Howard (1988), Taylor (1991), Taylor and Matulis
(1991), and Bish and Post (1993). Such an extension allows a calculated
XRD profile of each mineral to be generated from its known crystal structure,
and the sum of all calculated patterns to be fitted to the observed XRD profile
of a multi-mineral sample by iterative least-squares analysis to find the op-
timum individual phase scales. These are then used to determine the mineral
percentages in the sample.
One of the more recent methods for use of X-ray diffractometry in this
way is SIROQUANT(TM), a personal computer software system initially described
by Taylor (1991). This allows the proportions of up to 25 different minerals
in a mixture to be quantified from a conventional X-ray powder diffractom-
etry pattern using Rietveld techniques. Corrections are incorporated into the
standard mineral patterns used in the process to allow for absorption contrasts
between the elements involved (Taylor and Matulis 1991), based on the
principles outlined by Brindley (1945). The Rietveld parameters for each
mineral can be adjusted simply and interactively within the program, to rep-
licate more closely the mineral’s contribution to the measured pattern and
allow for variation due to atomic substitution, layer disordering, preferred
orientation, and other factors in the standard patterns used.
As well as computation of standard XRD patterns from crystallographic
and chemical data, reference patterns can be developed for use in SIROQUANT
directly from measured XRD traces of the mineral in question (Taylor and
Zhu 1992; Taylor and Matulis 1994). These allow minerals having imper-
fectly known or poorly developed crystal structures to be incorporated in
the analysis, with data derived from the measured patterns refined and
quantified along with those for the other reference components using the
Rietveld technique. Such a capability is particularly relevant to the clay
minerals, which may otherwise limit the applicability of the Rietveld ap-
proach in dealing with sediments. The simple and interactive nature of the
(TM) Registered Trade Mark, CSIRO.
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS 1051

TABLE 1.—Modal analysis data for selected sandstone samples, determined by

point counting.

Quartz Rock Fragments

Carbon- Other
Detrital Chert 1 Quartzo- Vulcano- Feldspar Clay Mica ate Iron Mater-
Sample Grains Secondary Lithic Lithic Grains Matrix Flakes Minerals Oxides ials
Number % % % % % % % % % %
10402 49 9 9 2 1 12 — 7 2 9
20201 18 — 3 11 6 12 — 2 — —
20305 34 5 1 2 3 36 10 3 1 5
20306 28 5 14 19 7 17 2 1 5 2
20321 55 8 4 2 5 12 3 11 — —
30102 1 5 37 30 8 6 1 10 — 2
30113 1 10 27 21 25 4 — 10 — 2
30114 2 8 25 29 16 1 — 17 — 2
51701 4 2 4 67 16 4 — 1 2
51703 11 1 25 42 2 9 — 5 2 —
51705 15 — 24 37 6 10 — 5 2 1
60501 12 1 22 18 5 2 — 39 1 —
60502 21 2 36 8 3 1 — 28 1 —
70801 58 4 24 7 — 6 — — 1 —
70901 1 — 59 — — 40 — — — —
71001 63 1 4 1 3 26 — — 1 1
71002 41 — 2 — 4 40 1 11 1 —
81401 30 5 41 6 4 9 1 3 1 —
82003 35 3 12 9 6 26 1 2 6 —
82004 45 6 8 9 — 26 1 3 — 2

In order to examine alternatives to point counting for mineralogical anal-

ysis, quantitative X-ray diffractometry using SIROQUANT was applied to a
number of sandstone samples from eastern Australia. The results were eval-
uated in the light of whole-rock chemical analyses of the same materials.
The study extends earlier work of a similar nature by Mumme et al. (1996)
through incorporation of a wider range of minerals (including clay min-
erals) into the XRD determinations. Normative analysis was also carried
out from the chemical-composition data for the same samples using SED-
NORM, incorporating two different options for potassium allocation. The
normative mineralogy for each option was compared to the mineralogy
indicated by SIROQUANT, and the SIROQUANT results compared to the point-
count data, in order to evaluate the compatibility of the techniques in quan-
titative mineralogical studies.

EXPERIMENTAL PROGRAM

A total of 26 sandstone samples, taken from Permian and Triassic strata

FIG. 1.—Flowsheet illustrating sequence of computations in SEDNORM (after
Cohen and Ward 1991).
software, moreover, allows the analysis to be performed by an operator
with a working knowledge of mineral X-ray diffraction patterns but not
necessarily a specialist’s understanding of Rietveld parameters and pro-
cessing.
Normative Analysis from Chemical Data
Another approach to quantitative mineralogy is to determine normative
mineral percentages from the rock’s chemical composition. This has long
been used as a quantitative tool for characterization of igneous rocks (Cross
et al. 1903; Kelsey 1965), but because of uncertainties in allocation of
several elements to different minerals has only infrequently been applied
to sedimentary materials (Milner 1962; Nicholls 1962; Garrels and Mac-
kenzie 1971; Merodio et al. 1992). A multi-option computation method
(SEDNORM), described by Cohen and Ward (1991), allows a more flexible
approach to estimating normative mineralogy for sedimentary rocks, with
element allocations varied to suit the material being studied (Fig. 1). Such
an approach is useful where choices in element allocation can be based on
complementary observations from thin sections or X-ray diffractograms.
in the Sydney and Bowen Basins, were analyzed for the present study. The
sandstones were mainly litho-feldspathic varieties, with an argillaceous ma-
trix and some carbonate cement (Loughnan 1966; Ward et al. 1991). They
provided a diverse mineralogy to evaluate the effectiveness of the two
analysis techniques. Complementary data were also available from point
counting (Table 1) for most of the samples studied.
The samples were oven dried at 1008C and powdered for approximately
one minute in a TEMA ring-grinder mill. Representative splits of each
sample were again oven-dried, and then heated to 10508C prior to prepa-
ration of fused borosilicate disks for XRF analysis (Norrish and Chappell
1977). The loss in mass associated with heating the oven-dried material to
10508C (loss on ignition) was determined in each case. The borosilicate
disks were analyzed in a Siemens SRS-300 X-ray fluorescence spectrometer
to determine the percentages of major elements present (Table 2).
SIROQUANT Analysis
XRD patterns from randomly oriented mounts of the powdered sand-
stones were collected from 5 to 758 2u on a Bragg–Brentano x-ray dif-
fractometer, using Co Ka radiation, a fixed 18 divergence slit, a 0.028
receiving slit, a step increment of 0.048 2u, a 3 second counting time, and
a graphite curved crystal diffracted beam monochromator. Rietveld-format
XRD data (.hkl) files were prepared using SIROQUANT for each mineral present
in the samples, drawing on a comprehensive collection of crystal-structure
1052 C.R. WARD ET AL.

TABLE 2.—Chemical analysis data for sandstone samples studied.

Sample SiO2 TiO2 Al2O3 Fe2O3 MnO MgO CaO Na2O K2O P2O5 S LOI*
Number % % % % % % % % % % % % Total
10402 76.66 0.36 8.46 3.2 0.01 0.07 2.52 Bld 1.67 Bld 2.42 5.95 101.32
20201 52.48 0.75 15.47 4.08 0.09 1.84 8.92 0.79 1.19 0.18 0.04 13.68 99.51
20203 36.35 0.34 8.21 19.18 0.39 2.76 9.98 0.10 1.20 0.19 0.02 20.84 99.56
20305 64.14 0.78 17.65 2.09 0.02 0.74 0.02 0.63 3.01 0.01 0.14 10.65 99.88
20306 72.62 0.64 15.54 1.32 0.02 0.55 0.17 2.80 2.24 0.09 0.06 3.85 99.90
20311 83.9 0.38 6.63 1.06 0.01 0.59 1.18 0.77 0.94 0.03 0.17 3.20 98.86
20321 78.32 0.49 7.83 1.31 0.02 0.56 0.65 1.26 1.32 0.02 Bld 5.15 96.93
30102 68.15 0.50 16.41 1.72 0.03 0.56 1.90 3.59 3.84 0.13 0.01 3.15 99.99
30106 59.37 0.61 17.01 3.22 0.05 1.67 3.39 1.85 5.40 0.13 0.03 6.90 99.63
30113 64.84 0.53 17.06 1.33 0.04 0.80 2.43 3.17 4.29 0.10 Bld 4.93 99.52
30114 62.21 0.44 15.14 3.27 0.09 0.89 3.87 2.21 3.92 0.08 0.01 7.36 99.49
51701 75.72 0.44 11.58 3.08 0.06 0.88 0.20 2.35 1.95 0.07 0.10 3.33 99.76
51702 54.93 0.58 24.32 3.49 0.09 1.31 0.41 1.00 4.15 0.12 Bld 10.79 101.19
51703 69.25 0.82 14.13 3.41 0.07 1.05 0.29 1.79 3.27 0.13 Bld 5.05 99.26
51705 68.58 0.81 16.75 1.84 0.02 0.71 0.05 1.60 3.73 0.02 Bld 4.28 98.39
60501 54.07 0.25 8.68 3.17 0.05 3.90 10.90 0.77 2.09 0.02 Bld 15.84 99.74
60502 65.85 0.51 12.78 5.19 0.06 1.52 2.17 0.05 1.59 0.06 0.06 9.76 99.60
70801 88.58 0.18 7.21 0.20 Bld 0.06 0.02 Bld 1.71 0.01 0.03 2.25 100.25
70802 82.61 0.31 10.65 0.23 Bld 0.13 0.06 Bld 2.38 0.11 0.02 2.84 99.34
70901 78.09 0.19 15.27 0.06 0.00 Bld Bld Bld 0.18 0.01 0.03 5.97 99.80
71001 86.85 0.38 9.01 0.13 0.00 Bld Bld Bld 0.39 0.02 0.01 3.15 99.94
71002 58.94 0.65 14.89 12.21 0.20 0.90 0.11 Bld 1.20 0.08 Bld 11.07 100.25
81401 80.10 0.36 8.72 1.48 0.02 0.48 0.77 1.19 1.57 0.05 0.00 4.02 98.76
82002 76.78 1.06 12.16 1.33 0.02 0.33 0.11 1.19 1.45 0.07 Bld 4.11 98.61
82003 77.45 0.77 12.61 1.04 0.01 0.30 0.08 1.19 1.51 0.06 Bld 4.01 99.03
82004 57.54 0.66 14.77 12.00 0.38 1.13 0.43 0.54 1.80 0.13 Bld 11.03 100.41
* LOI 5 Loss on ignition at 10508C.

information in the SIROQUANT database. These were produced by SIROQUANT
as ASCII files listing (hkl) and F(hkl) values. They also incorporated in-
formation on the plane nominated within each mineral to control preferred-
orientation effects, and data to allow for anomalous dispersion of the XRD
beam by iron and related constituents.
A task (.tsk) file was set up for each individual analysis, with a listing
of the minerals expected to be present (i.e., the .hkl files to be used in the
analysis) and the relevant sample XRD pattern. Corrections were made to
remove the background from the sample XRD trace, after which a calibra-
tion function was applied (Matulis and Taylor 1992) to compensate for the
effects of the Bragg–Brentano geometry on the X-ray diffraction pattern.
Operation of SIROQUANT involved interactive adjustment and best-fit
matching of the XRD profiles for the individual minerals in the task file
to the observed X-ray powder diffraction pattern of the sample under anal-
ysis. Overall intensities (scales) of the individual mineral phases, together
with unit-cell dimensions, linewidths, and preferred orientation for the min-
erals, and the zero setting of the diffractometer, were progressively refined
under operator instructions to fit the full profile of the sample’s XRD pat-
tern. Weight percentages of the different minerals were calculated at each
stage of the process, along with errors for each mineral phase and the
overall goodness of fit (chi2 value) between the observed and computed
profiles.
Allowance was made in the SIROQUANT analysis for preferred orientation
in several minerals, particularly the feldspars and carbonates, where al-
though a match was obtained for the key peak positions the distribution of
peak heights was inconsistent with the standard mineral pattern. The stan-
dard patterns for such minerals were refined by SIROQUANT, using compu-
tations based on the March Function preferred-orientation correction (Dol-
lase 1986), and the mineral percentages adjusted accordingly.
The results of the SIROQUANT analysis (Fig. 2; Table 3) represent the final
output from each task, when the best possible fit had been achieved be-
tween the observed and calculated XRD patterns. Table 3 also shows the
error associated with each individual component, evaluated by SIROQUANT
from the estimated standard deviation (e.s.d.) of the relevant Rietveld scale
factor. The error is expressed in each case as an absolute percentage with
respect to the last significant digit; thus a determination of 53.9(15) refers
to 53.9% with an error of 6 1.5% and 0.9(1) represents 0.9% with an
error of 6 0.1%.
An estimate of the overall goodness of fit of each analysis is also pro-
vided, expressed as the relevant global chi2 value derived as indicated by
Taylor (1991). This should approach unity for a perfect fit between the
measured and interpreted patterns, but in practice is usually greater than 1.
For the present study chi2 values of between 3 and 6 were obtained, with
most values around 4 or 5.
The errors derived from the e.s.d. values for each mineral phase are
probably an underestimation of the actual error in the respective determi-
nations. Errors given by SIROQUANT for each individual mineral should be
multiplied by the square root of the global chi2 figure for the analysis in
question. In the present study, with chi2 values typically around 4, the errors
given for the individual weight percentages in Table 3 should therefore be
multiplied by approximately 2. Such a correction is of a magnitude similar
to the R-factor ratio criterion of Prince (in Young 1993), which is generally
between 2 and 3 for similar Rietveld analyses.
For many of the minerals indicated by SIROQUANT to be present in low
concentrations (, 1%), the estimated error is of magnitude similar to, if
not greater than, the actual determination (e.g., 0.2(3)). These minerals
represent components for which small proportion is indicated by the dif-
fractogram but quantification is below the resolution of the Rietveld tech-
nique. The minerals in question could have been omitted from the analysis
in each case and the remaining components normalized to 100%, but they
are included in the tabulations to ensure that their presence is not com-
pletely overlooked.
SIROQUANT RESULTS
Quartz is present in all samples, ranging in abundance from around 20
wt % to almost 70 wt % (Table 3). Plagioclase (albite and anorthite) and
K-feldspar (orthoclase and microcline) were also identified in varying pro-
portions. The SIROQUANT results for the plagioclase minerals reflect refine-
ment of the relevant XRD patterns to those of the albite and anorthite end
members. Recognition of both albite and anorthite in the same sample
implies a range of plagioclase minerals, some of which give patterns that
are better refined to albite and some of which are better refined to anorthite.
The percentages of albite and anorthite in Table 3 do not imply a single
plagioclase mineral of that composition within the albite–anorthite series.
Calcite, dolomite, siderite, and ankerite are found in varying proportions,
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS
with highest values around 40 wt %. Kaolinite, illite, and interstratified
illite/smectite were identified in all samples, although in widely varying
proportions. Several samples appeared to contain muscovite, identified inter
alia by sharp XRD peaks, along with the broad peaks of the illite pattern.
Calculated patterns were developed for kaolinite and illite, using the
crystal structures published by authors such as Suitch and Young (1983)
and Knurr and Bailey (1986), and measured XRD profiles from Clay Min-
erals Society standard clay samples. A similar procedure was used to de-
velop calculated patterns for montmorillonite and interstratified illite/smec-
tite, using observed XRD patterns for relevant materials as a starting point
(Taylor and Matulis 1994). The clay patterns were then modified to fit
standard JCPDS powder index intensities for these phases, allowing SIRO-
QUANT to combine calculated and measured standard profiles and deal with
both clay and nonclay minerals in a single analysis process.
Relation of SIROQUANT Mineralogy to Chemical Composition
In order to provide a basis for checking the XRD results, the chemical
composition for each sandstone was calculated from the mineralogical anal-
ysis data (Table 4). With a few exceptions the calculations were based on
ideal stoichiometric formulae. The composition of illite was based on the
formula given by Deer et al. (1992), with no Fe or Mg in the structure,
and with less K and more Si than material of muscovite composition. The
smectite composition was based on an average of the montmorillonite and
beidellite formulae given by Moore and Reynolds (1989), and with equal
proportions of Ca21 and Na1 in the exchange position; the interstratified
clay was taken as containing equal proportions of illite and this smectite
material. Ankerite, where present, was assumed to have equal elemental
concentrations of Fe, Mg, and Ca.
A comparison of the chemical composition derived from the SIROQUANT
results with the chemical composition of the same sandstones as determined
by XRF is given in Figure 3. Linear regression lines are shown for the
components plotted in each case, together with the equation for each re-
1053
FIG. 2.—XRD data from a sandstone sample,
showing observed diffractogram (top),
interpreted diffractogram using SIROQUANT
(middle), and difference between them (bottom).
gression line (y 5 ax 1 b) and the relevant correlation coefficient. A
diagonal line is also drawn on each graph, representing the line along which
the points would fall if the proportions estimated from the SIROQUANT data
were exactly equal to those determined by the chemical analysis process.
The regression equations for SiO2, Al2O3, Fe2O3, Na2O, and K2O have
slopes (a) of around 0.85, correlation coefficients (r2) around 0.9, and, with
the principal exception of SiO2, relatively low intercept (b) values. The
correlation lines also plot close to the diagonal line on each graph, indi-
cating equality, and suggesting compatibility between the SIROQUANT deter-
minations and the chemical data. A perfect relationship between the in-
ferred and observed results would give a correlation line with a slope of
1.0, an intercept of zero, and a correlation coefficient of 1.0. The high
intercept value for SiO2 (b 5 11%) is based on a substantial extrapolation
from the range actually measured (Fig. 3A); no data points were available
with low SiO2 percentages.
The proportion of Al2O3 inferred from the SIROQUANT results is slightly
higher for most samples than that indicated by chemical analysis (Fig. 3B).
The regression line lies above the equality line, and departs from that line
at low Al2O3 percentages. On the other hand the proportions of Fe2O3,
MgO, and CaO inferred from SIROQUANT are slightly lower than those in-
dicated by direct analysis (Fig. 3C, D, G). The regression lines for these
components have intercepts close to zero but somewhat low slopes, and
hence depart from the equality line at high values. Together with the in-
creased scatter this may reflect a greater and more variable substitution of
Fe and/or Mg for Al in the smectite or illite structure. It may also reflect
more Ca or Mg in the exchange positions of the clay minerals.
The proportion of K2O inferred from the SIROQUANT data (Fig. 3E) is
also slightly higher than that indicated by direct chemical analysis. This
may reflect a lesser proportion than expected of K1 in the exchange po-
sition of the illite (including the illite in the I/S material), because of leach-
ing and related effects. The gap between the regression and equality lines
decreases at higher K2O percentages, where the data points represent sam-
ples in which K-feldspar as well as illite is generally present.
1054 C.R. WARD ET AL.

TABLE 3.—Mineral percentages for unspiked sandstone samples as determined by SIROQUANT.

Mineral 10402 20201 20203 20305 20306 20311 20321 30102 30106 30113 30114 51701 51702
Quartz 53.9 (15) 26.1 (7) 22.2 (6) 30.5 (8) 32.2 (7) 58.6 (14) 57.3 (18) 20.9 (7) 14.4 (6) 18.8 (5) 24.0 (6) 44.9 (11) 10.8 (6)
Kaolinite 2.5 (5) 17.2 (9) 8.2 (8) 4.5 (11) 1.9 (4) 1.6 (4) 0.8 (5) 2.3 (3) 2.6 (5) 0.3 (3) 1.9 (3) 7.3 (9) 4.5 (24)
Smectite 1.5 (2) 0.9 (1) 0.1 (1) 0.2 (1) 0.8 (1) 0.6 (1) 0.7 (2) 0.7 (1) 1.4 (2) 0.9 (1) 0.5 (1) 1.9 (1) 0.9 (2)
Illite 20.0 (11) 7.5 (8) 5.6 (7) 39.5 (11) 20.5 (8) 20.4 (9) 23.1 (11) 9.9 (7) 12.2 (10) 16.2 (7) 14.6 (7) 14.4 (8) 7.8 (18)
Interstratified 11.3 (9) 16.2 (7) 14.8 (7) 17.5 (7) 16.8 (7) 7.0 (7) 5.7 (9) 12.0 (6) 20.9 (11) 14.8 (6) 16.8 (6) 2.0 (7) 56.3 (26)
Clay
Muscovite 0.4 (7) 1.1 (7) 4.6 (7) 0.3 (6) 1.9 (10) 1.4 (9)
Albite 0.5 (9) 6.9 (8) 2.0 (6) 20.1 (8) 6.6 (9) 5.9 (10) 25.2 (10) 7.2 (12) 23.5 (8) 18.5 (8) 16.4 (8) 3.0 (10)
Microcline 3.3 (8) 0.4 (6) 0.5 (7) 0.6 (8) 9.5 (16) 0.8 (5) 7.4 (12) 4.9 (9) 0.4 (7)
Orthoclase 9.9 (13) 22.9 (15) 8.4 (7) 7.3 (8) 8.9 (8) 8.3 (14)
Anorthite 1.6 (10) 2.4 (8) 2.0 (11) 5.1 (6) 1.6 (9) 3.4 (14) 6.8 (7) 7.5 (12) 4.3 (7) 4.0 (11) 1.7 (7) 0.6 (10)
Calcite 7.9 96) 11.7 (6) 2.0 (2) 0.9 (3) 1.1 (2) 2.1 (5) 0.2 (3)
Dolomite 0.2 (3) 1.1 (3) 0.4 (4) 0.2 (5) 0.3 (3)
Siderite 0.3 (3) 0.5 (2) 26.1 (9) 0.5 (2) 0.8 (2) 0.1 (3) 0.4 (3) 0.4 (3) 0.1 (3) 2.4 (6) 1.5 (6) 3.7 (6)
Ankerite 11.9 (9) 6.8 (7) 0.2 (2) 0.2 (2) 1.7 (3) 1.4 (3) 0.3 (2) 4.6 (10) 4.0 (6) 2.4 (5) 0.1 (2) 0.2 (3)
Magnesite 0.3 (5) 0.3 (4) 0.4 (4) 0.1 (4) 0.1 (5) 0.2 (5) 0.1 (5)
Rutile 0.5 (3)
Anatase 0.3 (2) 0.2 (2) 0.1 (2) 0.4 (2) 0.1 (2) 0.3 (1) 0.3 (2) 0.2 (2)
Brookite 0.8 (4) 0.4 (4) 1.8 (5)
Haematite 0.2 (3) 0.2 (3) 0.1 (3) 0.1 (4) 0.2 (2) 0.2 (2) 0.3 (3) 0.8 (3)
Magnetite 0.1 (3) 0.6 (4) 0.4 (4)
Goethite 0.2 (3) 0.2 (2)
Pyrite 3.9 (3) 0.3 (2) 0.4 (3)
Marcasite 0.1 (4) 0.2 (3)
Halite 0.1 (2) 0.3 (1) 0.7 (2) 0.4 (2)
Total 100.0 100.1 99.9 99.8 100.0 99.8 100.0 100.0 99.9 100.1 100.2 100.0 100.3
Global chi 2 4.73 3.63 4.49 6.84 5.63 5.59 5.77 5.10 4.45 5.31 5.12 4.72 4.65
Mineral 51703 51705 60501 60502 70801 70802 70901 71001 71002 81401 82002 82003 82004
Quartz 35.4 (9) 47.7 (12) 36.6 (12) 45.6 (10) 67.2 (16) 59.7 (15) 55.0 (10) 66.2 (23) 38.3 (10) 59.4 (19) 55.9 (15) 51.6 (12) 33.0 (9)
Kaolinite 9.6 (8) 5.6 (8) 4.9 (9) 16.5 (7) 1.5 (4) 3.4 (4) 30.3 (7) 13.0 (12) 23.7 (9) 1.6 (5) 8.4 (9) 7.9 (8) 15.3 (9)
Smectite 1.5 (1) 0.8 (1) 1.0 (1) 0.4 (1) 0.5 (1) 0.2 (1) 1.2 (1) 0.8 (2) 0.3 (1) 0.1 (2) 0.5 (1) 0.4 (1) 0.9 (1)
Illite 17.7 (8) 14.3 (8) 5.5 (8) 12.7 (7) 20.4 (9) 21.2 (9) 6.0 (6) 12.8 (12) 14.4 (9) 20.3 (12) 17.7 (9) 19.9 (8) 22.0 (9)
Interstratified 8.5 (6) 6.0 (6) 9.2 (7) 7.2 (6) 7.0 (7) 13.1 (8) 5.3 (5) 1.8 (10) 0.7 (7) 9.5 (10) 7.3 (8) 8.1 (9) 7.9 (7)
Clay
Muscovite 1.1 (7) 1.5 (7) 0.8 (8) 1.1 (6) 0.6 (8) 5.4 (9) 0.3 (8) 1.0 (7) 4.1 (9)
Albite 12.9 (8) 10.1 (8) 6.7 (10) 0.3 (5) 0.9 (6) 4.1 (11) 6.0 (8) 8.1 (7) 2.0 (6)
Microcline 0.7 (6) 4.3 (8) 3.5 (13) 3.0 (3) 2.8 (7) 0.9 (7) 0.1 (5) 1.6 (9) 0.9 (6) 2.1 (9) 0.7 (7) 0.8 (6) 0.6 (6)
Orthoclase 7.7 (8) 4.5 (7) 5.2 (9) 0.9 (4)
Anorthite 2.1 (8) 3.4 (8) 3.6 (14) 0.6 (6) 0.1 (9) 0.7 (6) 2.6 (11) 1.5 (12) 2.4 (9) 0.8 (8) 0.6 (7)
Calcite 1.4 (7)
Dolomite 2.0 (4) 5.0 (9) 0.1 (3) 0.1 (2) 0.1 (4)
Siderite 1.7 (6) 1.3 (2) 5.7 (6) 13.9 (7) 1.1 (3) 0.4 (3) 0.5 (2) 12.5 (7)
Ankerite 0.4 (2) 0.2 (2) 19.0 (9) 0.2 (6) 0.1 (3) 0.1 (2) 0.1 (4) 0.5 (3) 0.1 (3) 0.3 (2) 0.2 (2)
Magnesite 0.1 (3) 0.2 (4) 0.2 (5) 0.1 (3) 0.2 (4)
Rutile 0.2 (2) 0.1 (1)
Anatase 0.3 (2) 0.2 (2) 0.3 (2) 0.1 (2) 0.2 (1) 0.3 (2) 0.1 (2) 0.3 (2) 0.3 (2) 0.2 (1) 0.1 (2)
Brookite 0.8 (3) 0.1 (4) 0.5 (4) 0.7 (4)
Haematite 0.1 (2) 0.2 (3) 0.3 (3) 0.2 (2) 0.2 (3) 0.1 (2) 0.2 (4) 0.1 (3) 0.1 (3) 0.2 (2)
Magnetite
Goethite 0.2 (2)
Pyrite 0.1 (2) 0.1 (1) 0.1 (2)
Marcasite 0.1 (2) 0.3 (2) 0.3 (4) 0.2 (3)
Halite 0.1 (1) 0.1 (1) 0.1 (1)
Total 100.0 100.2 99.9 100.1 99.9 99.8 100.0 100.0 100.1 100.1 100.0 100.1 99.9
Global chi 2 5.01 5.26 3.87 4.41 5.67 4.78 4.09 5.42 4.47 5.00 4.91 4.26 4.60

The proportion of Na2O inferred from SIROQUANT, on the other hand, is
very close overall to that determined by chemical analysis (Fig. 3F). This
appears to confirm the proportions of albite indicated by SIROQUANT; the
small departure of the regression line from equality at high Na2O values
may reflect minor substitution of Ca for Na in the material refined to this
plagioclase component. Any incorporation of Na1 as an interlayer ion in
the montmorillonite or interstratified clay is probably insignificant com-
pared to its occurrence in the feldspar minerals.
No significant relationship was found between the percentage of TiO2
indicated by chemical analysis and the percentage of titanium minerals
indicated as separate phases by SIROQUANT (Fig. 3H). The poor correlation
may partly be a function of the low TiO2 proportions present, together with
the relatively high error in the SIROQUANT analysis for minerals at such low
concentrations (Table 3).
The loss on ignition percentage (Table 2) represents mainly the hydroxyl
water of the clay minerals and the CO2 from the carbonates. For most
samples it is close to the total percentage of H2O1 and CO2 indicated by
interpretation of the SIROQUANT data (Fig. 3I). Although having a good
correlation coefficient (r2 5 0.85), the regression line indicates that loss
on ignition is mostly higher than the total H2O1 and CO2 indicated by
the SIROQUANT mineralogy. The additional loss may represent organic matter
or pyrite in the sandstones, as well as errors in the assumed compositions
of the clay and carbonate minerals. Separate information on total carbonate
or organic carbon content was not available, unfortunately, to further refine
the correlation.
Content of Amorphous Material
To provide a check for the presence of amorphous material, four of the
samples were spiked with a known proportion (16.7%) of synthetic corun-
dum, intimately mixed with the sandstone by hand grinding. X-ray dif-
fractograms of the spiked samples were analyzed separately by SIROQUANT.
The mineral proportions identified by the SIROQUANT computation are
normalized to a total of 100%. If the samples consist wholly of crystalline
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS 1055

TABLE 4.—Chemical composition of sandstones interpreted from SIROQUANT data.

Sample SiO2 TiO2 Al2O3 Fe2O3 MgO CaO Na2O K2O H2O CO2 CO2 1 H2O S Cl
Number % % % % % % % % % % % % %
10402 75.62 0.40 13.43 2.45 0.27 0.41 0.20 2.86 1.90 0.27 2.17 2.13 0.06
20201 53.57 1.00 17.26 3.07 2.19 7.23 1.06 1.46 3.61 9.10 12.71 0.27 0.18
20203 39.01 0.00 11.20 17.77 1.22 8.38 0.38 1.36 2.18 18.09 20.27 0.00 0.42
20305 66.16 0.10 23.62 0.57 0.21 0.17 0.36 4.95 3.52 0.33 3.85 0.00 0.00
20306 69.75 0.40 19.55 0.64 0.44 1.24 2.50 2.71 2.08 0.70 2.77 0.00 0.00
20311 79.43 0.40 12.26 0.39 0.62 0.97 0.88 2.17 1.54 1.33 2.87 0.00 0.00
20321 78.85 0.10 13.15 0.64 0.42 1.11 0.77 2.44 1.50 1.02 2.52 0.00 0.00
30102 67.22 0.00 19.51 0.26 0.17 2.61 3.11 4.67 1.43 1.02 2.44 0.00 0.00
30106 59.14 0.21 21.22 1.99 1.40 3.39 1.17 5.62 2.12 3.68 5.80 0.00 0.06
30113 64.20 0.30 19.93 0.88 0.79 2.33 2.89 4.81 1.56 2.31 3.87 0.00 0.00
30114 64.26 0.30 18.75 2.18 0.61 2.63 2.30 4.14 1.79 3.05 4.83 0.00 0.00
51701 75.87 0.20 14.76 1.25 0.07 0.40 1.97 2.98 1.88 0.61 2.49 0.00 0.00
51702 57.45 0.50 25.43 3.72 0.62 0.64 0.92 4.86 3.77 1.64 5.41 0.21 0.24
51703 70.14 0.50 18.50 1.40 0.17 0.57 1.61 3.55 2.70 0.86 3.56 0.00 0.00
51705 76.15 0.20 14.83 1.03 0.09 0.75 1.30 3.19 1.86 0.54 2.40 0.00 0.06
60501 59.88 0.00 11.65 4.31 3.55 5.74 0.88 2.53 1.47 9.99 11.46 0.00 0.00
60502 67.37 0.80 14.80 3.84 1.23 1.69 0.06 2.18 3.33 4.64 7.97 0.05 0.00
70801 84.35 0.30 10.88 0.02 0.09 0.09 0.06 2.65 1.52 0.04 1.57 0.00 0.00
70802 80.59 0.12 13.69 0.08 0.22 0.19 0.11 2.75 2.08 0.11 2.19 0.06 0.00
70901 76.51 0.30 16.42 0.31 0.11 0.24 0.13 0.79 4.82 0.09 4.92 0.21 0.06
71001 82.26 0.30 11.78 0.36 0.16 0.61 0.06 1.51 2.53 0.20 2.73 0.16 0.06
71002 60.90 0.60 17.00 8.99 0.14 0.10 0.12 2.13 4.29 5.58 9.87 0.16 0.00
81401 80.53 0.30 12.71 0.70 0.11 0.38 0.54 2.63 1.63 0.46 2.10 0.00 0.00
82002 78.75 0.30 14.53 0.35 0.08 0.59 0.76 2.08 2.41 0.15 2.56 0.00 0.00
82003 76.96 0.20 15.32 0.57 0.22 0.27 1.06 2.42 2.49 0.43 2.92 0.00 0.06
82004 60.24 0.80 18.89 7.81 0.12 0.22 0.30 2.95 3.80 4.85 8.65 0.00 0.00

material, SIROQUANT analysis of the spiked sandstones should indicate a
corundum percentage equivalent to the proportion added. If the proportion
determined by SIROQUANT is significantly higher, it might be inferred that
part of the sandstone is made up of material that is effectively amorphous
under XRD conditions.
The percentage of corundum determined by SIROQUANT for the spiked
materials (Table 5) shows values ranging from 13.8 to 18%, with errors in
the SIROQUANT determination of between 0.6 and 0.8%. Multiplying these
by the square root of the respective global chi2 values provides a more
realistic error estimate in each case of around 6 2%. For two of the sam-
ples the indicated proportion of corundum, if the error in each case is
added, would fall slightly below the weighed-in proportion. This is taken
to indicate no amorphous material present; the difference between the de-
termined and weighed-in values is within 3 e.s.d. units multiplied by the
square root of the respective chi2 values, which is regarded as a reasonable
level of agreement. For the other two it is slightly higher than 16.7%,
although the errors, if subtracted, would again place the SIROQUANT deter-
minations close to that figure. A small proportion of amorphous material
may possibly be present in the latter two samples, but given the errors
associated with the corundum determinations the overall proportion of
amorphous material in all four samples is for practical purposes negligible.
The two samples with a possible amorphous component are of lithic
composition (Table 1), suggesting that any such material may be associated,
at least in part, with cryptocrystalline quartz–feldspar–clay-mineral assem-
blages making up the relatively abundant rock fragments. The amorphous
material, if present, may also reflect fine-grained or poorly crystalline clay
minerals in the matrix fraction.
NORMATIVE ANALYSIS USING SEDNORM
component, on the basis of X-ray diffraction data. Illite is probably closer
to the actual composition of such materials in weathered and transported
sediments. The option in SEDNORM to include smectite and related clay
minerals in the normative analysis (Fig. 1) was not taken, because of un-
certainty regarding the composition. XRD study also shows that any smec-
tite is present as part of the interstratified illite/smectite component, and
thus represents only a relatively small proportion of the total sandstone in
each case.
The most significant assumption in the normative computation concerned
the distribution of K2O between illite and K-feldspar. Two separate com-
putations were made for each sample to take this factor into account. The
first (Option 1) allocated all K2O to illite and the second (Option 2) allo-
cated K2O equally between illite and K-feldspar. A third SEDNORM option,
allocating 100% of the K2O to feldspar, was not used; this would have
produced a zero illite percentage in the normative composition.
In the absence of an allowance in the calculation for smectite, all Na2O
in the sandstone samples was allocated to feldspar as albite. Separate de-
termination of Ca feldspar (anorthite) was not attempted, because all of the
CaO in this instance (see below) was allocated by the SEDNORM computation
to other minerals.
Calcium (CaO) was first combined with phosphorus (P2O5) to form ap-
atite. In the absence of separate data on total carbonate (CO2) content, the
CaO remaining after this computation was expressed by SEDNORM as calcite.
For similar reasons all of the MgO was expressed for the present discussion
as magnesite. Iron (Fe2O3) was initially combined with the sulfur deter-
mined by chemical analysis to form pyrite, after which the remaining Fe2O3
was expressed as hematite. The small amount of titanium in the samples
was expressed as anatase.
COMPARISON OF SIROQUANT AND SEDNORM DATA

In order to test the effectiveness of estimating mineralogy directly from
chemical-analysis data, for use in cases where quantitative XRD methods
such as SIROQUANT are not available, normative mineral percentages were
calculated from the chemical composition of each sandstone sample using
the SEDNORM program (Cohen and Ward 1991). Several combinations of
options were tested for these calculations, and the most suitable combina-
tion (Table 6) was applied to all samples to give a common basis for
comparison.
Illite, rather than muscovite, was chosen to represent the micaceous clay
A comparison of the mineral percentages indicated respectively by SED-
NORM and SIROQUANT is given in Figures 4 and 5. Both options for SEDNORM
are shown in most instances, although for some minerals, such as the car-
bonates, only one plot is provided because both options produce the same
results.
Quartz and Feldspar
The correlation line between the proportions of quartz indicated by SIR-
OQUANT and SEDNORM (Fig. 4A, B) has a slope of around 0.9, a high
1056 C.R. WARD ET AL.

FIG. 3.—Graphs showing comparison between percentages of different elements (expressed as oxides) deduced from SIROQUANT results compared to relevant percentages
from direct analytical data. A) SiO2; B) Al2O3; C) Fe2O3; D) CaO; E) K2O; F) Na2O; G) MgO; H) TiO2; I) Loss on ignition.
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS
TABLE 5.—Determination of content of amorphous material from corundum-spiked
samples.
Corundum
Corundum Determined Amorphous
Sample Added
Number % % Error % Error
30106A 16.7 17.6 0.6 6.1
51702A 16.7 18.0 0.7 8.7
70802A 16.7 14.6 0.6 0
71001A 16.7 13.8 0.8 0 Figure 5G shows the comparison between SEDNORM and SIROQUANT for
correlation coefficient (r2 . 0.9), and a small intercept, regardless of the
option used in SEDNORM for K2O distribution. Both SIROQUANT and SEDNORM
therefore provide very similar estimates of quartz content, even though
completely different principles are involved.
The proportion of K-feldspar indicated by SEDNORM depends on the op-
tion chosen to distribute the K2O content. Since Option 1 allocates all the
K2O to illite and does not produce any K-feldspar, comparison of SIRO-
QUANT and SEDNORM can be based only on the Option 2 results (Fig. 4C).
The points plotted in Figure 4C fall into two groups: those representing
samples with a low proportion of K-feldspar indicated by SIROQUANT, which
lie close to the x axis and below the diagonal line, and those with a rela-
tively high proportion of K-feldspar, which plot in the center of the graph
close to or above the equality line. For the first group the allocation of
50% of the K2O to K-feldspar is probably inappropriate, and most of the
K2O would have been better allocated to illite. For the second a greater
proportion of the K2O than 50% could probably have been allocated to the
K-feldspar component. Although there is a broad scatter in the comparison
(r2 5 0.59), the overall correlation line has a slope of 1.23 and a relatively
small intercept (3.4%) for the proportions involved. These factors suggest
that equal division of K2O between illite and K-feldspar provides a rea-
sonable compromise if a single option is followed for SEDNORM evaluation
of the overall sample suite.
In the absence of CO2 data to allow separate computation of calcite and
Ca-feldspar by SEDNORM, the comparison for plagioclase is based on the
SIROQUANT data for albite and anorthite and the SEDNORM data for albite
alone. With the exception of three points from plagioclase-rich samples
plotting significantly above the diagonal line in Figure 4D, the results for
both Options 1 and 2 (Fig. 4D, E) show a close similarity in the SEDNORM
and SIROQUANT results. This confirms that the plagioclase in the samples is
dominated by Na-rich varieties, and that both techniques give similar es-
timates of the percentage present.
Clay Minerals
As with K-feldspar, the proportion of normative illite depends in large
part on the method chosen for K2O distribution in the SEDNORM calculation.
For the present study the comparison is also affected by the inclusion of
interstratified illite/smectite with illite in the SIROQUANT data (Fig. 5A, B)
but computation of illite alone with SEDNORM. A combination of both factors
means that the illite percentage indicated by SEDNORM using Option 2, with
only 50% of the K2O allocated to illite, is in all cases less than the illite
and I/S indicated by SIROQUANT (Fig. 5B). Although the correlation line has
a slope close to 1, the correlation coefficient is low (r2 5 0.28) and the
intercept is relatively large (17%).
Option 1, in which all of the K2O is allocated to illite, produces twice
as much normative illite as Option 2. The data points for Option 1 plot
closer to the diagonal line indicating agreement with SIROQUANT (Fig. 5A),
even though the slope of the correlation line is less than unity and a low
correlation coefficient is involved.
By contrast, the proportion of kaolinite determined by SEDNORM is in
almost all cases higher than that indicated for the same samples by SIRO-
QUANT (Fig. 5C, D). In the normative calculation, kaolinite represents the
1057
balance of the Al-bearing components after allocation of Al2O3 to illite and
feldspar. Its overestimation by SEDNORM, relative to SIROQUANT, is due to
the apparent underestimation of illite by SEDNORM as discussed above. The
sum of illite and kaolinite (Fig. 5E, F) provides a better level of overall
agreement between the two analytical methods.
3.7
4.4 Other Minerals
the calcium and magnesium carbonate minerals identified by the different
techniques. For SIROQUANT these represent the sum of calcite, dolomite,
ankerite, and in some cases magnesite; for SEDNORM they represent the sum
of the normative calcite and magnesite components. Because of the mixed
mineralogy involved, a correlation based on the individual carbonate min-
erals was not attempted.
Good agreement is indicated between SEDNORM and SIROQUANT by Figure
5G. SEDNORM, however, indicates a slightly higher overall proportion of
carbonate minerals than SIROQUANT for equivalent samples. This may be
because the SEDNORM data are based on the full amounts of Ca and Mg
present, and because no allowance was made for any Mg or Ca in the illite
and illite/smectite components.
Good agreement is also indicated between SEDNORM and SIROQUANT for
the different iron minerals in the sample suite (Fig. 5H). These are repre-
sented by hematite and pyrite in the SEDNORM output, and by siderite, pyrite,
and various iron oxides in SIROQUANT. This suggests that the Fe in the
samples is mainly in carbonate, oxide, or sulfide form, and that only minor
proportions, if any, occur in the clay minerals.
CORRELATION WITH POINT-COUNT DATA
The mineralogical analyses by SIROQUANT (and also by SEDNORM) show
a poor correlation with point-count data obtained from the same sandstone
samples (Fig. 6). This is because significant proportions of rock fragments
and matrix are present, within which the minerals cannot be adequately
identified by microscope techniques.
Quartz
Higher proportions of quartz are determined by SIROQUANT for most sam-
ples than are identified as separate grains by point counting (Fig. 6A). This
reflects the presence of quartz also in the rock fragments and matrix com-
ponents. The difference is greatest for sandstones with low proportions of
visible quartz, and hence relatively high percentages of rock fragments and
matrix. On the basis of the correlation line, SIROQUANT indicates an average
of 30% quartz for sandstones with zero percent quartz by point count,
suggesting this as the average quartz content of the lithic and matrix ma-
terials.
For some of the more quartz-rich samples, point counting shows a slight-
ly higher proportion of quartz than does mineralogical analysis using SIR-
OQUANT. Such a discrepancy may partly reflect the fact that point counting
provides volumetric percentages whereas the SIROQUANT results are ex-
pressed as weight percentages. Quartz grains would be expected to be dens-
er than the (presumably) more porous clay-rich matrix, and thus provide a
larger weight (mass) fraction for a given proportion by volume. Another
factor may be that quartz grains are more prominent than some of the other
constituents when seen under the microscope, and thus be counted pref-
erentially where points fall close to grain/matrix boundaries.
Feldspar and Rock Fragments
Mineralogical analysis by SIROQUANT shows significantly greater per-
centages of feldspar than the proportion of feldspar grains identified by
point counting (Fig. 6B). This probably reflects incorporation of feldspar
also in the rock fragments. The slope of the correlation line, moreover,
 1058

TABLE 6.—Results of SEDNORM interpretations.

Mineral 10402 20201 20203 20305 20306 20311 20321 30102 30106 30113 30114 51701 51702 51703 51705 60501 60502 70801 70802 70901 71001 71002 81401 82002 82003 82004
Option 1
Quartz 64.7 29.8 27.3 38.8 40.6 72.9 66.2 33.8 32.3 31.4 33.6 50.7 16.7 42.2 38.2 38.5 50.7 78.0 67.4 60.5 76.0 41.9 64.8 57.3 56.9 37.5
Kaolinite 7.8 26.3 11.8 18.5 9.5 5.9 4.0 3.7 24.0 1.5 5.2 1.7 19.7 4.3 7.5 37.4 19.6 29.3 4.4 14.1 14.8 21.5
Illite 16.8 12.1 13.1 32.1 22.6 9.6 14.0 38.6 53.9 43.7 40.3 19.7 42.7 33.7 38.3 21.3 16.3 17.2 24.1 1.8 3.9 12.7 16.2 14.9 15.4 19.1
Albite 6.7 5.6 23.8 6.6 11.3 20.8 16.8 13.1 20.0 8.7 15.5 13.8 6.6 10.3 10.3 10.2 4.8
K-feldspar
Calcite 4.5 15.7 19.0 2.1 1.2 3.1 5.9 4.2 6.9 0.2 0.5 0.2 19.8 3.8 1.3 0.5
Magnesite 0.1 3.9 6.4 1.7 1.2 1.3 1.3 1.2 3.6 1.7 1.9 1.9 2.8 2.3 1.5 8.4 3.3 0.1 0.3 2.0 1.1 0.7 0.6 2.5
Anatase 0.4 0.8 0.4 0.8 0.6 0.4 0.5 0.5 0.6 0.5 0.5 0.4 0.6 0.6 0.8 0.3 0.5 0.2 0.3 0.2 0.4 0.7 0.4 1.1 0.8 0.7
Hematite 2.5 4.2 21.5 2.2 1.4 1.0 1.4 1.8 3.3 1.4 3.5 3.2 3.7 3.6 1.9 3.3 5.3 0.2 0.2 0.1 13.2 1.5 1.4 1.1 13.2
Pyrite 3.1 0.2 0.2 0.1 0.2
Apatite 0.4 0.5 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.1 0.3 0.2 0.1 0.2 0.1 0.3
Total 99.9 99.9 100.0 99.9 99.9 100.0 99.9 99.8 99.9 99.9 100.0 100.1 100.0 99.9 99.7 99.9 99.9 100.0 100.1 99.9 100.0 100.0 100.1 100.0 99.9 100.1
Option 2
Quartz 63.7 29.1 26.5 36.9 39.3 72.3 65.4 27.0 21.3 24.0 28.4 49.5 14.3 40.1 36.0 37.3 49.7 76.9 65.9 60.7 75.7 41.2 63.7 56.3 55.9 36.3
Kaolinite 12.3 29.5 15.4 27.1 15.5 8.5 7.8 5.7 6.0 6.6 7.9 8.9 35.4 10.7 15.4 7.5 24.1 8.9 14.0 38.1 20.6 32.7 8.8 18.3 19.0 26.6
Illite 8.4 6.0 6.6 16.0 11.3 4.8 7.0 19.1 27.2 21.6 20.0 9.8 21.3 16.8 19.1 10.6 8.1 8.6 12.0 0.9 2.0 6.3 8.1 7.4 7.7 9.5
Albite 6.7 5.6 23.7 6.6 11.2 30.0 15.7 26.9 19.0 19.9 8.6 15.5 13.8 6.6 10.3 10.3 10.2 4.8
K-feldspar 5.0 3.6 3.9 9.5 6.7 2.8 4.1 11.3 16.1 12.8 11.8 5.8 12.6 9.9 11.3 6.3 4.8 5.1 7.1 1.2 3.8 4.8 4.4 4.6 5.6
C.R. WARD ET AL.

Calcite 4.5 15.7 19.0 2.1 1.2 3.1 5.8 4.1 6.9 0.2 0.5 0.2 19.8 3.8 1.3 0.5
Magnesite 0.1 3.9 6.4 1.7 1.2 1.3 1.3 1.2 3.5 1.7 1.9 1.9 2.8 2.3 1.5 8.4 3.3 0.1 0.3 2.0 1.1 0.7 0.6 2.5
Anatase 0.4 0.8 0.4 0.8 0.6 0.4 0.5 0.5 0.6 0.5 0.5 0.4 0.6 0.6 0.8 0.3 0.5 0.2 0.3 0.2 0.4 0.7 0.4 1.1 0.8 0.7
Hematite 2.5 4.2 21.4 2.2 1.4 1.0 1.4 1.8 3.3 1.4 3.5 3.2 3.7 3.6 1.9 3.3 5.3 0.2 0.2 0.1 13.2 1.5 1.4 1.1 13.2
Pyrite 3.1 0.2 0.2 0.1 0.0 0.0 0.0 0.0 0.2
Apatite 0.4 0.5 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.0 0.0 0.1 0.3 0.2 0.1 0.2 0.1 0.3
Total 100.0 99.9 100.1 100.0 99.9 100.0 99.9 99.7 99.8 99.8 100.1 99.9 100.1 100.0 99.8 100.1 99.9 100.0 100.1 99.9 100.0 100.1 100.1 100.1 100.0 100.0

Options used in SEDNORM calculations

● Include illite (rather than muscovite)
● Include feldspar
● Exclude smectite
● Distribute K2O initially as follows:
Option 1: 100% to illite
Option 2: 50% to illite and 50% to feldspar
● Include S as sulphide (pyrite)
● Include carbonates (assign all remaining CaO and MgO to carbonates)
● H2O variable (add water in calculations where necessary)
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS
FIG. 4.—Graphs showing comparison between percentages of different minerals indicated by S EDNORM and SIROQUANT. A, B) Quartz; C) K-feldspar; D, E) Na–Ca
feldspar.
suggests that almost as much feldspar is present in this form as is repre-
sented by visible feldspar grains.
The total proportion (weight %) of feldspar indicated by SIROQUANT is
only around 40% of the combined (volume) percentage of feldspar and
rock fragments identified by point count (Fig. 6C). The correlation line has
an intercept close to zero, indicating that little or no feldspar is present in
other constituents, such as the matrices of the sandstone samples.
The combined percentages of quartz and feldspar determined by SIRO-
QUANT show a relatively good correlation with the total quartz, feldspar,
and rock fragments determined by point counting (Fig. 6D), although the
percentages of the former are in all cases less than those of the latter. The
difference may in part be due to weight and volume effects, but it may
also reflect the presence of other minerals, such as clays and/or carbonates,
in the feldspar and lithic particles. Extrapolation of the correlation line to
100% quartz 1 feldspar 1 rock fragments suggests that around 20% of
minerals other than XRD-identified quartz and feldspar are present in these
framework grains.
Clay and Carbonate Minerals
The total (weight) proportion of clay minerals indicated by SIROQUANT is
for all samples greater than the (volume) percentage of matrix components
1059
indicated by point counting (Fig. 6E). This probably reflects the presence
of clay minerals also in the rock fragments. The difference is greatest for
samples with low matrix and hence high lithic percentages, where the in-
tercept on the y axis suggests that around 30% clay minerals may be present
in the non-matrix components. The correlation line converges towards the
equality line at high matrix percentages, consistent with lesser proportions
of (clay-bearing) rock fragments in the more matrix-rich materials.
Although the correlation coefficient is low, point counting indicates a
higher percentage of carbonate minerals than SIROQUANT for most samples
(Fig. 6F). In a few cases, however, SIROQUANT indicates a greater carbonate
proportion. Indication of additional carbonate by point counting may be a
reflection of the higher density of siderite, which would produce a greater
carbonate mass percentage for a given volume. It may also be due to the
presence of carbonate finely intergrown with other minerals, and identified
due to its birefringence as carbonate alone in the point-counting process.
Indication of additional carbonate by SIROQUANT may reflect the material
occurring as a minor uncounted constituent within some lithic or feldspar
particles.
CONCLUSIONS
Analysis of sandstones by X-ray diffraction and the Rietveld-based SIR-
OQUANT technique provides data on mineral percentages that are generally
1060 C.R. WARD ET AL.

FIG. 5.—Graphs showing comparison between percentages of different minerals indicated by SEDNORM and SIROQUANT (continued). A, B) Illite and I/S; C, D) kaolinite;
E, F) total clays; G) Ca and Mg carbonates; H) iron minerals.

consistent with the independently determined bulk chemistry of the mate-
rials. Only with TiO2 minerals, which are present in low proportions and
hence were subject to significant errors in the SIROQUANT determinations,
was a poor correlation achieved.
Supplementary tests with a weighed-in corundum spike suggest that a
negligible proportion of X-ray amorphous material is present in the sand-
stones studied. Amorphous material may be associated with some of the
more clay-rich or more lithic sandstones; if it is present at all it probably
represents very fine grained or poorly crystallized particles associated with
the matrix and rock fragments.
Normative estimation of mineral percentages from chemical composition
using SEDNORM provides data that are consistent with SIROQUANT for quartz,
Na-feldspar, carbonates, and iron minerals. As with any normative method,
however, the SEDNORM results are affected by the way in which potassium
is allocated between K-feldspar and illite. This resulted in poor correlations
with SIROQUANT for illite, kaolinite, and the K-feldspar component.
 QUANTITATIVE SANDSTONE MINERALOGICAL ANALYSIS
FIG. 6.—Graphs showing comparison between percentages of minerals indicated by Siroquant relative to components indicated by point counting: A) Quartz; B) feldspar;
C) feldspar plus rock fragments; D) quartz plus feldspar plus rock fragments; E) clay minerals and matrix; F) carbonate minerals.
Although normative interpretations may be of value in expressing geo-
graphic or stratigraphic trends in mineralogical terms, especially if other
techniques are not available (e.g., from down-hole geochemical logs), SIR-
OQUANT offers a more direct method for quantitative, sample-specific eval-
uation.
The results obtained by SIROQUANT (or SEDNORM) are not directly com-
parable with those obtained from modal analysis by point counting. Quartz,
feldspar, and clay minerals are present in the rock fragments of the sand-
stones studied, and quartz and clay are found in the matrix components.
Mineral density factors and operator choices in point counting may also
affect the correlation between the mineralogical and petrographic approach-
es to sandstone analysis.
Because they are based on analysis of powdered rock materials, both
SIROQUANT and SEDNORM are able to avoid problems with sample hetero-
geneity that may affect thin-section petrographic studies. Each technique
provides, in its own way, an alternative to point counting for quantitative
evaluation of sandstones, and each may be of value in a range of geological
applications.
ACKNOWLEDGMENTS
Thanks are expressed to Prodip Dutta, Anton Crouch, and Irene Wainwright for
the thin-section and chemical analyses associated with the study, and to Alan Spears,
Ray Ferrell, Gus Mumme, and Brian Ricketts for constructive review of the man-
uscript. The study was sponsored in part by the National Energy Research, Devel-
opment and Demonstration Program, administered by the Australian Department of
1061
Primary Industries and Energy, and by the CSIRO/UNSW Collaborative Research
Fund.
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Received 1 May 1998; accepted 25 November 1998.