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เนื้อหา Inorganic Solid 1. Classification of Bonds and Crystals PowerPoint PPT Presentation

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เนื้อหา Inorganic Solid 1. Classification of Bonds and Crystals 2. The effect of radius ratio and change in structure 3. Lattice energy 4. Defect structures 5. Structure of Silicates 6. Metallic bonding 7. Alloys Symmetry and Group theory

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เนื้อหา Inorganic Solid 1. Classification of Bonds and Crystals

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Inorganic Solid

1. Classification of Bonds and Crystals

2. The effect of radius ratio and change in structure

3. Lattice energy

4. Defect structures

5. Structure of Silicates

6. Metallic bonding

7. Alloys

Symmetry and Group theory

1. Symmetry elements and operations

2. Point group

3. Properties and representations of groups

4. Examples and applications of symmetry

Acid-base Chemistry

1. Acid-Base concepts

2. Measures of Acid-Base Strength

3. Hard and Soft Acid and Bases

Classification of Bonds and Crystals

Ionic bond

An atom of sodium (Na) donates one of its electrons to an atom of chlorine (Cl) in a chemical reaction. The resulting positive ion (Na+) and negative ion (Cl) form a stable molecule (sodium chloride, or common table salt) based on this ionic bond.

Covalent bond

Metallic bond

  • Metallic bonds fall into two categories.

  • simple metal valence electron sp-shell electron crystal conduction electron crystal

  • 2. the case in which the valence electrons are from the sp-

  • shells of the metal ions; this bonding is quite weak.

  • the valence electrons are from partially filled d-shells, and this bonding is quite strong. The d-bonds dominate when both types of bonding are present.

Type of crystals ()

  • Solid () (atom) (molecule) (ion) rigid crystal lattice

  • (interaction) (ionic bond) (metallic bond) (covalent bond) (hydrogen bond) - (dipole-dipole forces) (van der Waals forces)

Ionic crystals ()


Metallic crystals ()

  • metallic crystal (lattice of cation)

electrical conductivity metallic lattice

electrical conductivity

Covalent crystals ()

  • crystal lattice



  • diamond (SiO2) (Si) (BN)

sp3 hybridization

CCC 109.5o

Atomic-molecular crystals

  • (Londondispersion forces) - (dipole-dipole forces) (Atomic-molecular crystals) 2 (directional) (nondirectional) Atomic-molecular crystals dry ice (CO2) (CH4) (HCl) (P4)

H-O---H 109.5

London dispersion

intermolecular forces

A-type crystal lattices

  • Space lattice and unit cells

    Space lattice

    Unit cell space lattice

    (1) space lattice


haxagonal space lattice 2 dimension 4 a) Lattice b) (rhombic) c) rectangle lattice d) hexagon unit cell

A-type lattices

  • A-type lattices simple cubic lattice

A-type lattice cubic lattice hard


simple cubic lattice (a) unit cell lattice


(b) 1/8 (c) space lattice highlight unit cell 8 ()

  • b l (cell edge) d (diameter of sphere) l = d 1 cubic unit cell l3( d3)

    [(4/3)(d/2)3] x 1

Fraction of space

occupied by sphere

= 0.52



A-type lattice

Unit cell (a) simple (b) body-centered (c) face-centered

cubic lettices

  • (density) mass (Avogadros number)

    (g/cm3) = 1 atom (AW/6.02 x 1023)(g/atom)

d3 cm3

simple cubic lattice

ccp 1.28

=4 atom(63.54 g/mol/6.02 x1023 atom/mol)

[2(1.28 x 10-8)2]3

= 8.90 g/cm3

  • Body-centered cubic (bcc)

    simple cubic lattice cubic cell b) 8 cubic 1/8 8 2[=1+8(1/8)] l d cell edge sphere diameter

x sphere diameter cell edge

body-centered unit (a) body diagonal

face diagonal cell edge (b) cell edge

l face diagonal l2

Body diagonal = 2d = l3 ; l = 2d/3

from (b)

from (a)


  • 7.10cubic and hexagonal

  • Close-packed structures

  • Layer A of both structures

  • Layer A and B of both structures showing two types of depression

  • (c) ABCABC layer of cpp structure

  • (d) ABABAB layer of hcc structures

7.11 cpp structure fcc unit cell ABCABC layer

(b) fcc unit cell ABCABC layer

(c) space lattice fcc unit cell ABCABC layer

cpp structure fcc unit cell

cpp = ABCABC = fcc

7.12 fcc unit cell ABCABC layer (center of hexagon) 12

fcc unit cell

= 8(1/8) + 6(1/2) = 4

Face diagonal = l2 = 2d

l = 2d = d2


  • Hexagonal

  • closed packed unit cell

  • ABABAB layer



This point is

In both unit

Cell 1 and 4


Total points per = 2(1/2) + 3 + 12(1/6) = 6

hcp unit cell

at corners of


in hexagonal


Wholly within


7.15 14 Bravais lattices

7 unit cell

cubic, tetragonal, orthorhombic,

rhobohedral, hexagonal, monoclinic triclinic P = primitive simple I = body-centered, F = face-centered C = base-centered

ABn-type crystal lattices

  • ABn-type lattices (ionic crystral) A-type lattice (hole)

  • anionic lattices (hole) A-type lattices

Cubic, Octahedral and Tetrahedral Holes


simple cubic unit cell

cubic hole 7.17 space-filling model

(radius) cubic hole

7.18 tetrahedral octahedral hole a) tetrahedral

(b) triangle (c) triangle

octahedral hole (d) (square)

(e) triangle


7.19 face-centered cubic unit cell Octahedral

tetrahedral holes octahedral hole 12

tetrahedral hole

4 octahedral hole tetrahedral hole



at cell edges

  • = [1+12(1/4)] octahedral holes/unit cell

4 spheres/unit cell

= 1 octahedral hole/ sphere

= 8 tetrahedral holes/unit cell

4 spheres/unit cell

= 2 tetrahedral holes/sphere

Radius ratios

7.20 (a) three dimension (b) cross-section

A-type lattice

  • 1/10

    Size of holes cubic > octahedral > tetrahedral

    Coord. No. 8 6 4


r +/r

trigonal 0.155

tetrahedral 0.225

octahedral 0.414

cubic 0.732


r +/r - 0.155 to 0.225 to 0.414 to 0.732 to higher values

C.N. 3 4 6 8

trigonal tetrahedral octahedral cubic

Ionic radii

7.21 x-ray

diffection map electron

density contour NaCl

(electron/3 contour Line boundary

  • Shannon-Prewitt ionic radii 7.4, 7.5 7.6 ionic radius

    C.N Na+ radius,

  • 1.13

  • 1.16

  • 8 1.32

  • NaCl ABCABC layers

  • (b) NaCl view as fcc Cl- with

  • Na+ in octahedral holes

(b)CsCl Cs+ cubic holes Cl-

(d)Zinc blend Zn2+ tetrahedral holes fcc S2-

Wurtzite unit cell

(e) Wurtzite Zn2+ tetrahedral holes hcp S2-

  • NaCl rock salt AB structure radius ratio sodium cation cubic closed-packed lattice chloride anion 7.22a

    ABCABC layer structure fcc unit cell

    172 173 174 Figure 7.22

AB2 structures

  • AB compound 7.6

    (C.N. of A) x (no. of A in formula) = (C.N. of B) x (no. of B in formula)

    A B AB

Fluorite, CaF2, F-

fcc Ca2+

Ca2+ cubic hole simple cubic F-

Rutile, TiO2

Rutile, TiO2 Ti4+ non-close-packed array

Structures involving polyatomic molecular and ions



(b) Potassium hexachloroplatinate (IV)

K2PtCl6 antifluorite

K+ tetrahedral holes

fcc PtCl62-

  • Dry ice, CO2 CO2

  • fcc array

C) Calcium carbide, CaC2 C22-

fcc Ca2+

D) Calcium carbonate, CaCO3


face-centered rhombohe

dral CO32-

(Defect structures)

  • Simple vacancies

  • Unexpected occupation of interstitial sites

  • incorporation of impurities, that is, atoms and ions other than those of parent crystal

  • Various lattice imperfection

(Types of defect structure)

  • Schottky defect

Frenkel defect (ionic lattice) interstitial sites

  • defect stiochiometry iron(II)oxide, FeO

Fe2+ Fe2+ Fe3+

(oxigen-iron ratio)

stoichiometry Fe0.95O

(impurity) rubies

Emeralds lattice defect edge dislocation

Spinel structure: Connecting crystal field effects with solid state structure

  • Spinel structure AIIB2IIIO4 MgAl2O4

    cubic close-packed (face centered-cubic) normal spinel A(II) 1/8 B(III) stoichiometry A 1 4 B 2 4 normal spinel 100 inverse

    spinel B(III) A(II)

7.26 a portion of the space lattice of the spinel structure (AIIB2IIIO4)

showing the A(II) cations (occupying 2 of possible 16 tetrahedral sites

(or one-eighth of the tetrahedral holes) and the B(III) cations occupying

Four of possible eighth octahedral sites (or one-half of the octahedral



Crystal field stabilization

Energy (CFSE)

NiFe2O4 (a) Ni2+

(d8) (b) Fe3+ (d5)

Weak-field tetrahedral

octahedral holes

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