Match!

Phase Analysis Report

Sample: STA-14 clay Air Dri

Sample Data
File name STA-14 clay Air Dried.raw
File path C:/Users/ADMIN/Documents/KULIAH/AKADEMIK/SEMESTER 5/ENDAPAN MINERAL/PRAKTIKUM/acara
5/OUTPUT ACARA SEM XRD/OUTPUT 2021/LAPORAN SEM XRD/Soal Match (Raw Data)
Data collected Jan 15, 2019 02:59:13
Data range 2.000º - 32.000º
Original data range 2.000º - 32.000º
Number of points 1501
Step size 0.020
Rietveld refinement converged No
Alpha2 subtracted No
Background subtr. No
Data smoothed Yes
Radiation X-rays
Wavelength 1.540598 Å

Matched Phases
Index Amount (%) Name Formula sum
A 54.9 Dolomite C2 Ca Mg O6
B 26.6 Pyroxene Fe0.086 Mg0.914 O3 Si
C 9.9 Biotite Al1.999 K0.5 Mg2.001 O12 Si3
D 5.5 Kaolinite Al2 O9 Si2
E 3.1 Alunite Al2.916 H6.117 K0.876 Na0.071 O14.039 S2
16.0 Unidentified peak area
Amounts calculated by RIR (Reference Intensity Ratio) method

A: Dolomite (54.9 %)*

Formula sum C2 Ca Mg O6
Entry number 96-900-1419
Figure-of-Merit (FoM) 0.857308*
Total number of peaks 51
Peaks in range 3
Peaks matched 2
Intensity scale factor 4.82*
Space group R -3
Crystal system trigonal (hexagonal axes)
Unit cell a= 4.7703 Å c= 15.6530 Å
I/Ic 2.68
Calc. density 2.978 g/cm³
Reference Ross N. L., Reeder R. J., "High-pressure structural study of dolomite and ankeriteP = 3.70 GPa", American
Mineralogist 77, 412-421 (1992)

B: Pyroxene (26.6 %)*

Formula sum Fe0.086 Mg0.914 O3 Si
Entry number 96-900-1220
Figure-of-Merit (FoM) 0.838453*
Total number of peaks 428
Peaks in range 16
Peaks matched 11
Intensity scale factor 0.53*
Space group Pbca
Crystal system orthorhombic
Unit cell a= 18.2430 Å b= 8.8340 Å c= 5.1900 Å
I/Ic 0.61
Calc. density 3.275 g/cm³
Reference Molin G. M., "Crystal-chemical study of cation disordering in Al-rich and Al-poororthopyroxenes from spinel
lherzolite xenolithssample Le9A, 1150 C, 10 min", American Mineralogist 74, 593-598 (1989)

C: Biotite (9.9 %)*

Formula sum Al1.999 K0.5 Mg2.001 O12 Si3
Entry number 96-900-0469
Figure-of-Merit (FoM) 0.784683*
Total number of peaks 300
Peaks in range 19
Peaks matched 9
Intensity scale factor 0.45*
Space group C 1 2/c 1
Crystal system monoclinic
Unit cell a= 5.3290 Å b= 9.2340 Å c= 20.0980 Å β= 95.090 º
I/Ic 1.40
Calc. density 2.686 g/cm³
Reference Takeda H., Ross M., "Mica polytypism: Dissimilarities in the crystal structures of coexisting 1Mand 2M1 biotite",
American Mineralogist 60, 1030-1040 (1975)

D: Kaolinite (5.5 %)*

Formula sum Al2 O9 Si2
Entry number 96-901-5000
Figure-of-Merit (FoM) 0.739907*
Total number of peaks 264
Peaks in range 12
Peaks matched 10
Intensity scale factor 0.21*
Space group C1c1
Crystal system monoclinic
Unit cell a= 5.1480 Å b= 8.9200 Å c= 14.5350 Å β= 100.200 º
I/Ic 1.17
Calc. density 2.570 g/cm³
Reference Gruner W., "The Crystal Structure of Kaolinite_cod_database_code 1011045", Zeitschrift fur Kristallographie 83,
75-88 (1932)

E: Alunite (3.1 %)*

Formula sum Al2.916 H6.117 K0.876 Na0.071 O14.039 S2
Entry number 96-901-5625
Figure-of-Merit (FoM) 0.721356*
Total number of peaks 104
Peaks in range 8
Peaks matched 5
Intensity scale factor 0.20*
Space group R -3 m
Crystal system trigonal (hexagonal axes)
Unit cell a= 6.9806 Å c= 17.4250 Å
I/Ic 1.99
Calc. density 2.774 g/cm³
Reference Zema M., Callegari A. M., Tarantino S. C., Gasparini E., Ghigna P., "Thermal expansion of alunite up to
dehydroxylationand collapse of the crystal structureNote: T = 200 C", Mineralogical Magazine 76, 613-623
(2012)
(*)2theta values have been shifted internally for the calculation of the amounts, the intensity scaling factors as well as the figure-of-merit (FoM), due to
the active search-match option 'Automatic zero point adaption'.

Candidates
Name Formula Entry No. FoM
Heptasilver(I)tetraseleniogermanate(IV) selenide iodideAg7 Ge I Se5 96-810-0985 0.8649
Canfieldite Ag7.998 S3.897 Sn Te2.103 96-901-6146 0.8570
Ag7 Ge I Se5 96-210-3084 0.8556
Ag7 Ge I Se5 96-210-3085 0.8524
Matildite Ag Bi S2 96-901-1025 0.8447
Bornite Cu1.25 Fe0.25 S 96-900-4134 0.8420
Cu5 Fe S4 96-154-0203 0.8405
O45 P9 V12 96-400-1392 0.8346
Ga5 V2 96-900-8113 0.8324
Bornite Cu1.25 Fe0.25 S 96-901-1056 0.8297
Ag6 Hg Ge Se6 Ag6 Ge Hg Se6 96-150-9940 0.8274
Ag7 Ge I Se5 96-210-3083 0.8260
Cu As Se As Cu Se 96-152-8200 0.8204
Rh Sb 96-900-8943 0.8174
Tb Pt Ge Ge Pt Tb 96-152-1737 0.8123
Sm2 Ca2 (Mn O7) Ca2 Mn O7 Sm2 96-153-3776 0.8113
Ca2 Al3 (Si2 O7) (Si O4) O (O H) Al3 Ca2 H O13 Si3 96-152-9925 0.8102
Ag5.6 Hg1.2 Ge Se6 Ag5.6 Ge Hg1.2 Se6 96-150-9935 0.8101
H1.97 O5.33 P V1.23 96-434-5177 0.8096
Bornite Cu2.5 Fe0.5 S2 96-901-1158 0.8094
Barium hexasilver oxide Ag6 Ba O4 96-200-2215 0.8092
Na O6 Si2 V 96-901-3608 0.8079
Sm Cu1.15 P2 Cu1.15 P2 Sm 96-153-1911 0.8071
Sr8 Ag5 Si9 Ag5 Si9 Sr8 96-150-9929 0.8055
Sr Ag Ge Ag Ge Sr 96-150-9371 0.8048
Na O6 Si2 V 96-201-0144 0.8037
Ag7 Ge I Se5 96-210-3082 0.8030
Langbanite Ca0.79 Fe6.09 Mg0.14 Mn31.98 O72 Sb3 Si696-900-9369 0.8024
(Na0.89 Li0.11) Fe (Si2 O6) Fe Li0.11 Na0.89 O6 Si2 96-810-3775 0.8022
Bi1.185 K0.57 O3.4 96-901-5499 0.8022
Mn2 Ti4 O Mn2 O Ti4 96-154-1464 0.8020
Jadeite Al0.52 Ca0.47 Fe0.48 Na0.53 O6 Si2 96-901-0477 0.8018
Potassium bismuth oxide hydroxide * Bi2.37 H1.9 K1.14 O6.8 96-100-4038 0.8017
Jadeite Al0.52 Ca0.47 Fe0.51 Na0.53 O6 Si2 96-901-0328 0.8014
Ba Co2 Gd O5.389 96-400-2595 0.8012
Er4 Ge4 In Ni2 96-433-2548 0.8012
Wadsleyite Fe0.5 Mg1.5 O4 Si 96-900-2366 0.8012
Au Ge2 In3 Yb3 96-432-4384 0.8010
 Br3 Cl Hg6 S4 96-901-0605 0.8008
Ga Se2 Ta4 Te6 96-400-0753 0.8007
Ba Co2 Gd O5.389 96-400-2596 0.8005
Y D3 D3 Y 96-152-7836 0.8003
Nd2 Ba4 Cu6.72 O15.08 Ba4 Cu6.72 Nd2 O15.08 96-153-9860 0.7999
(Na0.948 Li0.052) Fe (Si2 O6) Fe Li0.052 Na0.948 O6 Si2 96-810-3774 0.7995
Strontium lanthanum nickel(III) oxide La Ni O4 Sr 96-200-2225 0.7992
Kosmochlor Cr Na O6 Si2 96-900-0353 0.7992
Ba Co2 Gd O5.389 96-400-2597 0.7991
Al9.63 Au3.37 Ce16 96-704-0229 0.7990
Cu10 Sn3 96-152-4807 0.7989
Parakeldyshite Na2 O7 Si2 Zr 96-901-2688 0.7988
Au5 Zn3 96-151-0574 0.7986
mosandrite Ca3.5 Ce H10 O20 Si4 Ti 96-151-9939 0.7982
and 6923 others...

Search-Match
Settings
Reference database used COD-Inorg REV254652 2020.07.29
Automatic zeropoint adaptation Yes
Downgrade entries with low scaling factorsYes
Minimum figure-of-merit (FoM) 0.60
2theta window for peak corr. 0.30 deg.
Minimum rel. int. for peak corr. 0
Parameter/influence 2theta 0.50
Parameter/influence intensities 0.50
Parameter multiple/single phase(s) 0.50

Peak List
No. 2theta [º] d [Å] I/I0 FWHM Matched
1 8.94 9.8836 352.27 0.2719 C
2 12.24 7.2253 231.89 0.7706 D
3 13.98 6.3297 66.04 0.2599 B
4 17.90 4.9514 142.85 0.4733 C,E
5 20.06 4.4228 164.87 1.1610 B,C,D
6 21.04 4.2190 156.63 1.0317 C,D
7 22.20 4.0011 157.24 0.9670 A,B,D
8 24.36 3.6510 291.41 0.9023 A,C
9 25.08 3.5478 224.23 0.6463 C,D,E
10 26.88 3.3142 603.44 0.3902 B,C
11 28.10 3.1730 1000.00 0.2219 B,C
12 29.34 3.0416 82.12 0.6162 B,C,D,E
13 30.12 2.9646 65.24 0.6162 B,E

Integrated Profile Areas

Based on calculated profile

Profile area Counts Amount

Overall diffraction profile 154311 100.00%
Background radiation 94278 61.10%
Diffraction peaks 60033 38.90%
Peak area belonging to selected phases 35375 22.92%
Peak area of phase A (Dolomite) 4571 2.96%
Peak area of phase B (Pyroxene) 11274 7.31%
Peak area of phase C (Biotite) 9417 6.10%
Peak area of phase D (Kaolinite) 6889 4.46%
Peak area of phase E (Alunite) 3223 2.09%
Unidentified peak area 24658 15.98%

Peak Residuals
Peak data Counts Amount
Overall peak intensity 1170 100.00%
Peak intensity belonging to selected phases 1111 94.95%
Unidentified peak intensity 59 5.05%

Diffraction Pattern Graphics

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