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Crystallography and Mineralogy

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 LECTURES FOR
UNDERGRADUATE STUDENTS

CRYSTALLOGRAPHY AND
MINERALOGY

Dr. Osama Shaltami

Department of Earth Sciences
Faculty of Science, Benghazi University, Libya
CRYSTALLOGRAPHY
Introduction
Crystallography is the science of measuring the crystal
structure (in other words, the atomic arrangement) of a
crystal.

Mineralogy is a subset of geology specializing in the scientific

study of chemistry, crystal structure, and physical (including
optical) properties of minerals.
A crystal or crystalline solid is a solid material whose
constituent atoms, molecules, or ions are arranged in an
ordered pattern extending in all three spatial dimensions.
This ordered arrangement of atoms is called a crystal
structure, and thus all minerals are crystals. If the crystal
structure is different, then we give the mineral a different
name. A solid compound that meets the other criteria, but
has not definite crystal structure is a said to be amorphous.
Concepts of crystallinity
Levels of atomic arrangements in materials:
(a) Inert monoatomic gases have no regular ordering of atoms
(b) Some materials, including water vapor, nitrogen gas,
amorphous silicon and silicate glass have short range order
(c) Metals alloys, many ceramics and polymers have regular
ordering of atoms/ions that extends through the material
Crystallization
Crystallization is the process of forming a crystalline
structure from a fluid or from materials dissolved in a fluid
(More rarely, crystals may be deposited directly from gas).

Crystal habit
The crystal habit of a mineral describes its visible external
shape. It can apply to an individual crystal or an assembly of
crystals. The crystal habit of a mineral describes its visible
external shape. It can apply to an individual crystal or an
assembly of crystals.
Crystal faces and shapes
Crystals are commonly recognized by their shape, consisting
of flat faces with sharp angles. A crystal is scientifically
defined by its microscopic atomic arrangement, not its
macroscopic shape but the characteristic macroscopic shape
is often present and easy to see. There are three types:
1) Euhedral crystals are those with obvious, well-formed flat
faces
2) Anhedral crystals do not, usually because the crystal is
one grain in a polycrystalline solid.
3) Subhedral crystals
Unit cell
* Smallest possible structural unit that is repeated, 3
dimensionally
* Contains a full description of the structure as a whole
* Crystallographic analog of atom.
Symmetry
Symmetry
Symmetry of crystals is the ability of crystals to repeat
themselves in the different positions (e.g. rotation)

Types of crystals
Based on symmetry there are two types of crystals:
1. Holosymmetric crystals
2. Hemisymmetric crystals
Elements of symmetry
1) Centre of symmetry
It is an imaginary point in the crystal that any line drawn
through it intersects the surface of the crystal at equal
distance on either side.

Centre of symmetry
2) Plane of symmetry
It is an imaginary plane which passes through the centre of a
crystal can divides it into two equal portions which are
exactly the mirror images of each other.
3) Axis of symmetry or Axis of rotation
An axis of symmetry is an imaginary line, passing through the
crystal such that when the crystal is rotated about this line, it
presents the same appearance more than once in one complete
revolution i.e., in a rotation through 360°. In crystals rotation
axes can be sixfold (termed hexad), fourfold (tetrad),
threefold (triad) or twofold (diad),

4fold axis 3fold axis 2fold axis 6fold axis

Law of symmetry
It is the representation of the symmetry elements in the
form of law.

Example: 5m 14 42 n

Law of constancy of symmetry

According to this law, all crystals of a substance have the
same elements of symmetry is plane of symmetry, axis of
symmetry and centre of symmetry.
Crystallographic Axes
and Miller Indices
Crystallographic axes
The crystallographic axes (a, b and c or a1, a2, a3 and c) are
imaginary lines that we can draw within the crystal
lattice. These will define a coordinate system within the
crystal. For 3-dimensional space lattices we need 3 or in some
cases 4 crystallographic axes that define directions within the
crystal lattices.
+c
+a3 -a1

-a2 +a2

+a1 -c -a3
Angles of crystallographic axes
There are three inter-axial angles α, β and ɤ (sometimes
four (α1, α 2, α3 and ɤ) in the hexagonal and trigonal
systems), where alpha is the angle between b and c, beta
between a and c, and gamma between a and b.
Bravais lattice
It is an infinite array of discrete points in three dimensional
space generated by a set of discrete translation operations.
Crystal form
Any grouping of crystal faces or facets that are arranged in
the same symmetry is referred to as a crystal form. There
are two types of crystal forms:
1) Open forms: An open form is one or more crystal faces
that do not completely enclose space.
2) Closed forms: A closed form is a set of crystal faces that
completely enclose space. Thus, in crystal classes that
contain closed forms, a crystal can be made up of a single
form.
 Open forms

Pedion Pinacoid Dome Sphenoid Pyramid

Prism
 Closed forms

Hexahedron Octahedron Tetrahedron Dodecahedron

Trisoctahedron Trapezohedron Tetrahexahedron Hexoctahedron

Miller indices
Three integers (hkl) (sometimes four (hkil) in the hexagonal
and trigonal systems) used to indicate the orientation of an
axis or direction in a crystal such as those corresponding to a
crystal face.
Examples of Miller indices:
Crystal System
Crystal system
A crystal system is a class of point groups. Informally, two
crystals tend to be in the same crystal system if they have
similar symmetries. In three dimensions there are seven
crystal systems:
1. Cubic system (isometric system)
2. Tetragonal system
3. Orthorhombic system
4. Monoclinic system
5. Triclinic system
6. Hexagonal system
7. Trigonal system
 Cubic System

* It is a crystal system where the unit cell is in the shape of

a cube.
* In this crystal system there are three crystallographic
axes. Each has the same length (a = b = c).
* They all meet at mutual 90o angles in the center of the
crystal (α = β = ɤ = 90o).
* Law of symmetry: 9m 34 43 62 n

Crystal forms:
1. Hexahedron (6 faces, closed form)
2. Octahedron (8 faces, closed form)
3. Dodecahedron (12 faces, closed form)
4. Trapezohedron (24 faces, closed form)
5. Trisoctahedron (24 faces, closed form)
6. Hexoctahedron (24 faces, closed form)
7. Tetrahexahedron (24 faces, closed form)
Mineral examples:

Fluorite Halite

Pyrite Galena
 Tetragonal System

* Two equal, horizontal, mutually perpendicular axes (a and b).

Vertical axis (c) is perpendicular to the horizontal axes and is
of a different length (a = b ≠ c).
* They all meet at mutual 90o angles in the center of the
crystal (α = β = ɤ = 90o).
* Law of symmetry: 5m 14 42 n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (4 faces, open form)
4. Pyramid (4 faces, open form)
5. Dipyramid (8 faces, closed form)
6. Ditetragonal dipyramid (16 faces, closed form)
7. Tetragonal scalenohedron (4 faces, closed form)
Mineral examples:

Andalusite Wulfenite Leucite

Rutile Zircon
 Orthorhombic System

* Three mutually perpendicular axes of different lengths (a ≠

b ≠ c).
* They all meet at mutual 90o angles in the center of the
crystal (α = β = ɤ = 90o).
* Law of symmetry: 3m 32 n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (4 faces, open form)
4. Pyramid (4 faces, open form)
5. Dipyramid (8 faces, closed form)
Mineral examples:

Barite Olivine

Aragonite Marcasite
 Monoclinic System

* In this crystal form the axes are of unequal length. Axes a

and b are perpendicular, but a and c make some oblique angle
and with each other (a ≠ b ≠ c).
* β = ɤ = 90o ≠ α
* Law of symmetry: 1m 12 n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (4 faces, open form)
4. Pyramid (4 faces, open form)
5. Dipyramid (8 faces, closed form)
Mineral examples:

Gypsum Orthoclase
 Triclinic System

* In this system, all of the axes are of different lengths and

none are perpendicular to any of the others (a ≠ b ≠ c).
* α ≠ β ≠ ɤ ≠ 90o
* Law of symmetry: n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (4 faces, open form)
4. Pyramid (4 faces, open form)
5. Dipyramid (8 faces, closed form)
Mineral examples:

Microcline Wollastonite Kyanite

 Hexagonal System

* Three horizontal axes meeting at angles of 120o and one

perpendicular axis (a1 = a2 = a3 ≠ c).
* α1 = α2 = α3 = 90o ≠ ɤ = 120o
* Law of symmetry: 7m 16 62 n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (6 faces, open form)
4. Pyramid (6 faces, open form)
5. Dipyramid (12 faces, closed form)
Mineral examples:

Beryl Apatite Nepheline

 Trigonal System

* Three horizontal axes meeting at angles of 120o and one

perpendicular axis (a1 = a2 = a3 ≠ c).
* α1 = α2 = α3 = 90o ≠ ɤ = 120o
* Law of symmetry: 3m 13 32 n

Crystal forms:
1. Pedion (one face, open form)
2. Pinacoids (2 faces, open form):
3. Prism (6 faces, open form)
4. Pyramid (6 faces, open form)
5. Dipyramid (12 faces, closed form)
Mineral examples:

Hematite Calcite

Dolomite Quartz
Crystal Zone and
Steno's Law
Crystal zone
A crystal zone is defined as a group of crystal faces that
intersect in parallel edges.
Calculation of crystal zone index (u v w)
Example (1)
(1 1 0) (1 -1 0)
1 1 0 1 1 0
1 -1 0 1 -1 0
(1x0) - (-1x0) = 0
(0x1) – (0x1) = 0
(1x-1) – (1x1) = -2
(uvw) = (0 0 -2)
Example (2)
(1 1 -2 0) (-1 2 -1 0)
(1 1 -2 0) (-1 2 -1 0)
(1 1 0) (-1 2 0)
1 10 1 1 0
-1 2 0 -1 2 0
(1x0) - (0x2) = 0
(0x-1) - (0x1) = 0
(1x2) – (-1x1) = 3
(uvw) = (003)
Law of constancy of interfacial angles (Steno's Law)
This law states that angle between adjacent corresponding
faces is inter facial angles of the crystal of a particular
substance is always constant inspite of different shapes and
sizes and mode of growth of crystal. The size and shape of
crystal depend upon the conditions of crystallization. This law
is also known as Steno's Law.
Crystal Twin
Crystal twin
* Crystal twinning occurs when two separate crystals share
some of the same crystal lattice points in a symmetrical
manner. The result is an intergrowth of two separate crystals
in a variety of specific configurations. A twin boundary or
composition surface separates the two crystals.
Types of twinning
1) Contact twins: have a planar composition surface
separating two individual crystals. Plagioclase, quartz, gypsum
and spinel often exhibit contact twinning
2) Penetration twins: have an irregular composition surface
separating two individual crystals. Orthoclase, staurolite,
pyrite and fluorite often show penetration twinning.
Origin of twinning (Modes of formation)
1) Growth twins
When accidents occur during crystal growth and a new crystal
is added to the face of an already existing crystal, twinning
can occur if the new crystal shares lattice points on the face
of the existing crystal, but has an orientation different from
the original crystal. Such growth twins can be contact twins or
can be penetration twins.
2) Transformation (Annealing) twins
Transformation twinning occurs when a preexisting crystal
undergoes a transformation due to a change in pressure or
temperature. This commonly occurs in minerals that have
different crystal structures and different symmetry at
different temperatures or pressures.

3. Deformation (Gliding) twins

Deformation twins are the result of stress on the crystal
after the crystal has formed. The mineral calcite can be
easily twinned in this way. Deformation twinning is a common
result of regional metamorphism.
Stereographic
Projection
Stereographic projection
Stereographic projection is a method used in crystallography
to depict the angular relationships between crystal faces.
Cubic system
Law of symmetry: 9m 34 43 62 n
Tetragonal system
Law of symmetry: 5m 14 42 n
Orthorhombic system
Law of symmetry: 3m 32 n
Monoclinic system
Law of symmetry: 1m 12 n
Triclinic system
Law of symmetry: n
Hexagonal system
Law of symmetry: 7m 16 62 n
Trigonal system
Law of symmetry: 3m 13 32 n
MINERALOGY
Introduction
A mineral is a naturally occurring homogeneous solid with a
definite (but not generally fixed, see example below)
chemical composition and a highly ordered atomic
arrangement, There are two types of minerals namely;
inorganic (e.g. calcite, quartz, olivine, etc.) and organic (e.g.
uricite, calclacite and hoelite).

Example:
Apatite is a group of phosphate minerals, usually referring to
hydroxylapatite (Ca5(PO4)3(OH)), fluorapatite (Ca5(PO4)3(F))
and chlorapatite (Ca5(PO4)3(Cl)).
Physical mineralogy
Physical mineralogy is the specific focus on physical attributes
of minerals. Description of physical attributes is the simplest
way to identify, classify, and categorize minerals, and they
include color, crystal structure, crystal habit, twinning,
cleavage, luster, streak, hardness and specific gravity.

Chemical mineralogy
Chemical mineralogy focuses on the chemical composition of
minerals in order to identify, classify and categorize them, as
well as a means to find beneficial uses from them.
Biomineralogy
Biomineralogy is a cross-over field between mineralogy,
paleontology and biology. It is the study of how plants and
animals stabilize minerals under biological control, and the
sequencing of mineral replacement of those minerals after
deposition.

Optical mineralogy
Optical mineralogy is a specific focus of mineralogy that
applies sources of light as a means to identify and classify
minerals.
Descriptive mineralogy
Descriptive mineralogy summarizes results of studies
performed on mineral substances. It is the scholarly and
scientific method of recording the identification,
classification, and categorization of minerals, their properties,
and their uses.
Classification for descriptive mineralogy
Determinative mineralogy
Determinative mineralogy is the actual scientific process of
identifying minerals, through data gathering and conclusion.
When new minerals are discovered, a standard procedure of
scientific analysis is followed, including measures to identify a
mineral's formula, its crystallographic data, its optical data, as
well as the general physical attributes determined and listed.
Mineraloids
By definition, a mineral has to have an ordered atomic
arrangement, or crystalline structure. There are some Earth
materials that fit all other parts of the definition of a
mineral, yet do not have a crystalline structure. Such
compounds are termed amorphous (without form). Some of
these amorphous compounds are called mineraloids. These
usually form at low temperatures and pressures during the
process of chemical weathering.

Example:
Limonite and allophane are good examples for mineraloids.
Polymorphism
Polymorphic minerals are two or more minerals that have the
same chemical composition, but different crystal structures.

Examples:
1) FeS2 Pyrite (cubic system)
Marcasite (orthorhombic system)

2) CaCO3 Calcite (trigonal system)

Aragonite (orthorhombic system)
Isomorphism (Isostructuralism)
Isomorphic minerals are crystalline mineral compounds having
different chemical composition but identical structure.

Example:
Galena (PbS) Cubic system
Halite (NaCl)
Pseudomorph
In mineralogy, a pseudomorph is a mineral or mineral
compound that appears in an atypical form (crystal system),
resulting from a substitution process in which the appearance
and dimensions remain constant, but the original mineral is
replaced by another. The name literally means "false form".

Examples:
1) Anhydrite (CaSO4) pseudomorphed after gypsum
(CaSO4.2H2O)
2) Limonite [FeO.(OH).nH2O] pseudomorphed after pyrite
(FeS2)
Metamict Minerals
Metamict minerals are minerals whose crystal structure has
been partially destroyed by radiation from contained
radioactive elements.

Example:
The mineral zircon (ZrSiO4) often has U and Th atoms
substituting for Zr in the crystals structure. Since U and Th
have radioactive isotopes, Zircon is often seen to occur in
various stages of metamictization.
Atomic Theory
Ionic radius (IR) and Valence
Cations (+) —> generally smaller IR
Anions (-) —> generally larger IR
Coordination number and Radius ratio
In an ionic structure each cation tends to surround itself
with anions; the number that can be grouped around it will
depend on the relative size of the cations and anions. The
coordination number (CN) is defined as the number of anions
that can fit around a cation. This number increases as the
radius ratio increases. The number of anions that can ‘fit’
around a cation is related to the relative size difference
between the ions, and this size difference can be described
using the radius ratio, which is given by rC/rA.
When this number is small, then only a few anions can fit
around a cation. When this number is large, then more anions
can fit around a cation. See the following table.

Coordination Number
Radius Ratio Arrange of anions around the cation
(CN)
0.15 - 0.22 Corners of equilateral triangle 3

0.22 - 0.41 Corners of a tetrahedron 4

0.41 - 0.73 Corners of an octahedron 6

0.73 - 1 corners of a cube 8

1 Midpoints of cube edges 12

 Coordination Polyhedron

A. Triangular (CN = 3), B. Tetrahedral (CN = 4), C. Octahedral

(CN = 6), D. Cubic (CN = 8) and E. Dodecahedral (CN = 12)
Examples:
* C4+ in triangular coordination (CN = 3) produces (CO3)2-
* Si4+ in tetrahedral coordination (CN = 4) produces (SiO4)4-
Mineral Formula
Mineral Formula
* Formula reflects the proportions of elements (cations and
anions) present in the mineral.

Examples:
Calcite CaCO3
Quartz SiO2
Hematite Fe2O3
Olivine (Mg,Fe)2SiO4
Recalculation of mineral formula
1) Converts wt% of elements or oxides into a mineral
formula

Example (a):

Wt% Atomic wt Atomic Atomic ratio

(gm/mole) proportions*
Cu 34.30 63.54 0.54 ~1
Fe 30.59 55.85 0.55 ~1
S 34.82 32.07 1.09 ~2
SUM 99.71

Formula = CuFeS2
Example (b):

Wt% Atomic wt Atomic Atomic ratio

(gm/mole) proportions*
BeO 13.97 25 0.56 3.11
SiO2 67.04 60.08 1.12 6.22
Al2O3 9.17 50.98 0.18 1
SUM 90.18

Formula = Be3Al2Si6O18
2) Graphical representation of mineral formula

two components
Example (a): CaO – MgO – SiO2 system

CaO
100% 0%

90% 10%
25%CaO + 25%MgO + 75% SiO2
(1CaO + 1MgO + 2SiO2)
80% 20%
Mineral formula Ca Mg S2iO6

70% 30%

33%CaO + 33%MgO + 33% SiO2 60% 40%

(1CaO + 1MgO + 1SiO2)
50% 50%
Mineral formula Ca Mg SiO4

50%MgO + 50% SiO2 40% 60%

(1MgO + 1SiO2)
Mineral formula Mg SiO3 30% 70%

20% 80%
65%MgO + 35% SiO2
(2MgO + 1SiO2)
10% 90%
Mineral formula Mg2 SiO4

0% 100%
100% 90% 80% 70% 60% 50% 40% 30% 20% 10% 0%
MgO SiO2
0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100%
Example (b): CaCO3 – MgCO3 – FeCO3 system

FeCO3
100% FeCO3
Mineral formula (siderite) FeCO3

50%CaCO3 + 50% FeCO3

(1 CaCO3 + 1 FeCO3)
Mineral formula (ankerite) CaFe(CO3)2

CaCO3 MgCO3

100% CaCO3 50% CaCO3 + 50% MgCO3 100% MgCO3

Mineral formula (calcite) CaCO3 (1 CaCO3 + 1 MgCO3) Mineral formula (magnesite) MgCO3
Mineral formula (dolomite) CaMg(CO3)2
Atomic Substitution
and Solid Solution
Atomic substitution
* According to Goldschmidt's Rules atomic substitution is
controlled by the size (i.e., radii) of the ions. The charge of
the ions cannot differ by more than 1. There are three types
of atomic substitution:
1) Free substitution can occur if size difference is less than
~15%
2) Limited substitution can occur if size difference is 15 -
30%
3) Little to no substitution can occur if size difference is
greater than 30%
*Atomic substitution is greater at higher temperature and
higher pressure

Examples:
1) Ni2+ = 0.69Å and Mg2+ = 0.72Å
2) Pb2+ = 1.19Å and K+ = 1.38Å
Solid solution
Solid Solution is defined as a mineral structure in which
specific atomic site(s) are occupied in variable proportions by
two or more different elements.
Examples:
1) The Olivine group represents a complete solid solution
series. Compositions range from a 100% Mg-rich "end
member" (forsterite) to a 100% Fe-rich "end member"
(fayalite), with all mixtures of these two elements possible
(e.g. 90% Mg and 10% Fe). Complete solid solution series
because Fe and Mg have same charge and the difference in
radius is about 0.08Å (Fe2+ = 0.74Å and Mg2+ = 0.66Å).
2) Plagioclase feldspars also display a complete solid solution
series ranging from a 100% Na-rich end member (albite) to a
100% Ca-rich end member (anorthite). Because Na has a
charge of +1 and Ca has a charge of +2 and the difference in
radius is about 0.11Å (Ca2+ = 1.08Å and Na+ = 0.97Å).
3) Some carbonates show a limited solid solution series (e.g.,
calcite and magnesite), because the difference in radius is
about 0.42Å (Ca2+ = 1.08Å and Mg2+ = 0.66Å).
Thanks
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