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Monday, January 23, 2017

Crystal Lattices and Unit Cells I

Crystal System: There are
230-crystal forms
32-point groups
7- Crystal systems
14- Bravais Lattice

There are seven types of unit cell formed. These are Cubic, Tetragonal, Orthorhombic, Monoclinic, Hexagonal, Rhombohedral or Trigonal and Triclinic. The 7 crystal systems can be remembered as   C   T   O   M   T   R   H

Crystal System
Relation between a, b, c,
Relation between α, β, ɣ
No. of Planes and Axes
Cubic
a = b = c
α = β = ɣ = 90⁰
9 planes + 4 axes
Tetragonal
a = b ≠ c
α = β = ɣ = 90⁰
5 planes + 5 axes
Orthorhombic
a ≠ b ≠ c
α = β = ɣ = 90⁰
3 planes + 3 axes
Monoclinic
a ≠ b ≠ c
α = β = 90⁰ ≠ ɣ
1 plane + 1 axis
Triclinic
a ≠ b ≠ c
α ≠ β ≠ ɣ ≠ 90⁰
0
Rhombohedral
a = b = c
α = β = ɣ ≠ 90⁰
7 planes + 7 axes
Hexagonal
a = b ≠ c
α = β = 90⁰, ɣ = 120⁰
7 planes + 7 axes

Bravais lattices: The Bravais lattice are the distinct lattice types which when repeated can fill the whole space. In three dimensions there are 14 Bravais lattices

Primitive
Side Centered
Body Centered
Face Centered
Cubic

Cubic
Cubic
Cubic
a ≠ c
Tetragonal

a ≠ c

Tetragonal
a ≠ b ≠ c
 
a ≠ b ≠ c
Orthorhombic
a ≠ b ≠ c
Orthorhombic
a ≠ b ≠ c
Orthorhombic
α ≠ 90⁰, β, γ = 90⁰
Monoclinic
α ≠ 90⁰, β, γ = 90⁰
Monoclinic


Monoclinic
Hexagonal
Hexagonal
α = β = γ ≠ 90⁰
Trigonal
Trigonal
α, β, γ ≠ 90⁰
Triclinic
Triclinic


Crystal
Description
Co. Number
Rock Salt (NaCl)
Cl⁻ ions are in CCP and Na⁺ ions occupy octahedral voids
Cl⁻ → 6
Na⁺ → 6
Zincbled (ZnS)
S²⁻ ions are in CCP Zn²⁺ ions occupied tetrahedral voids.
Zn²⁺  → 4
S²⁻ → 4
CsCl
Cl⁻ ions are in HCP Cs⁺ ions in the body of the cube.
Cl⁻ → 8
Cs⁺ → 8
Wurtzrite (ZnS)
S²⁻ ions are in HCP Zn²⁺ ions occupies tetrahedral void.
Zn²⁺ → 4
S²⁻ → 4
Florite (CaF₂) (AB₂)
Ca²⁺ ions are in CCP F⁻ ions occupies all the tetrahedral voids
Ca²⁺  → 8
F⁻ → 4
Anti Florit (A₂B)
A⁺ ions occupies all the tetrahedral voids, B²⁻ ions are in CCP
A⁺ → 4
B²⁻ → 8

Structure of CsCl:
Structure of CsCl
1. Total no: of ions = 9 (1Cs⁻ + 8 Cl⁻ [Or] 1 Cl⁻ + 8 Cs⁺)
2. No: of Cs⁺ per unit cell = 0/8 + 0/4 + 0/2 + 1/1 = 1
3. No: of Cl⁻ per unit cell = 8/8 + 0/4 + 0/2 + 0/1 = 1
4. No: of CsCl formula units per unit cell = 1.
5. Co-ordination number
 Each ion is surrounded by eight ions of its counterpart.
 So, coordination number for
Cs⁺ → 8
Cl⁻ → 8
6. Body diagonal = √3a = 2 (r Cs⁺ + r Cl⁻)

Structure of NaCl:
Structure of NaCl
a. Total no: of ions = 27 (13 Na⁺ + 14 Cl⁻ [Or] 14 Na⁺ + 13 Cl⁻)
b. No: of Na⁺ ions per unit cell = 8/8 + 12/4 = 4 {1 is at body centered 12 are at edges}
c. No: of Cl⁻ ions per unit cell = 6/2 + 8/8 = 3 {8 at corners and 6 at face center}
d. No: of formula units per unit cell = 4
e. Co-ordination no: of Na⁺ = 6
f. Cl⁻ = 6
g. Edge length = a = 2 (rNa⁺ + rCl⁻)

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