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Elemental solids:
Face-centered cubic (fcc) Hexagonal close-packed (hcp) Body-centered cubic (bcc) Diamond cubic (dc)
Binary compounds
Fcc-based (Cu3Au,NaCl, -ZnS) Hcp-based (-ZnS) Bcc-based (CsCl, Nb3Sn)
J.W. Morris, Jr.
University of California, Berkeley
Common in
Fcc: atoms at the corners of the cube and in the center of each face
Is a Bravais lattice, but drawn with 4 atoms/cell to show symmetry Found in natural and noble metals: Al, Cu, Ag, Au, Pt, Pb Transition metals: Ni, Co, Pd, Ir
B
C
A
A
B
B C
A
A
C
A
B
A
A
A A B C C A A B B C A A
AB
ABA = hcp
A
B
C
C
A
A
A
B
B
C
A
A
A
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There are two ways to stack spheres
The sequence ABA creates hcp
The sequence ABC creates fcc
MSE 200A Fall, 2008
ABC = fcc
J.W. Morris, Jr.
University of California, Berkeley
Hexagonal Close-Packed
MSE 200A Fall, 2008
2 atoms in primitive cell of hexagonal lattice 6 atoms in cell drawn to show hexagonal symmetry Divalent elements: Be, Mg, Zn, Cd Transition metals and rare earths: Ti, Zr, Co, Gd, Hf, Rh, Os
ABC stacking
Fcc cell
Common in
A
B
C
C
A
A
A
B
B
C
A
A
A
Tetrahedral void above and below each atom (2 per atom) Octahedral void in third site between planes Fcc: ...(aAa)c(bBb)a(cCc)b(aAa) Hcp: ...(aAa)c(bBb)c(aAa) (octahedral voids all on c-sites) Size and shape of voids are the same in fcc and hcp
Close-packed plane stacking is ...AaBbCc or ... aAbBcC... - Each atom has four neighbors in tetrahedral coordination - Natural configuration for covalent bonding C, Si, Ge, Sn (grey) Are all semiconductors or insulators
Interstitial:
Fcc octahedral: NaCl Fcc tetrahedral: -ZnS Hcp tetrahedral: -ZnS Bcc tetrahedral: Nb3Sn (A15)
BCC parent
Stoichiometric formula AB A-atoms on edges B-atoms in centers Either specie may be A
Found in:
Intermetallic compounds
CuZn (-brass)
MSE 200A Fall, 2008
Found in:
Intermetallic compounds (Cu3Au) As sublattice in complex ionics
E.g., perovskites BaTiO3 (ferroelectric) YBa2Cu3O7 (superconductor) Lattices of + and - ions must interpenetrate since like ions cannot be neighbors
FCC parent
Stoichiometric formula AB A-atoms on fcc sites B-atoms in octahedral voids Either can be A
Found in:
Ionic compounds:
NaCl, MgO (RB/RA ~ 0.5) Perovskites (substitutional ordering on both sites)
Metallic compounds
Carbonitrides (TiC, TiN, HfC)
MSE 200A Fall, 2008
Found in:
Covalent compounds:
GaAs, InSb, -ZnS, BN
Ionic compounds:
AgCl Large size difference (RB/RA < .414)
MSE 200A Fall, 2008
Found in:
Covalent compounds:
ZnO, CdS, -ZnS, Lonsdalite C
Ionic compounds:
Silver halides Large size difference (RB/RA < .414)
MSE 200A Fall, 2008
Each has a short axis parallel to cube edge (Ox, Oy, Oz) Total of six octahedral voids, three of each orientation
Found in:
A15 compounds: These are the type-II superconductors used for wire in high-field magnets, etc.
MSE 200A Fall, 2008
Order layers
Substitutional X-Compounds
Undifferentiated Differentiated
All atoms are the same: fcc, hcp, polytypes (e.g., ABCBABCBA) Planes of atoms alternate: CuPt, WC Note that cubic symmetry is broken in CuPt: rhombohedral
^ ^ ^
= Na = Cl
= As = Ni
Undifferentiated
Fcc or hcp planes alternate with filled octahedral planes: NaCl, NiAs Note that o-sites in NiAs are ccc, can tell which atom is in octahedral hole Alternate lattice or interstitial planes differ CdI2: like NiAs but octahedral Cd planes alternate with vacant planes
Differentiated
Tetrahedral(I) X-compounds
= Zn =S
= Zn =S
Tetrahedral(II) X-Compounds
= Ca =F
Lattice planes plus planes on both tetrahedral sites Fcc-based: CaF2 (flourite) and Li2O Hcp-based: none known
MSE 200A Fall, 2008