A3', alpha-lanthanum and B81, nickel arsenide

Structural typeA3', B8_1
Common nameA3' – alpha-lanthanum, B81 – nickel arsenide
Definition close-packed ABAC=ch structure
PrototypeA3' – α-La, B81NiAs
Pearson symbolhP4
Space group194 P63/mmc D6h4
Chemical formulaAB
Bondingmetallic, ionic
Atomic positions  A (2a)   0    0    0  (marked by C)
 B (2c)  1/3  2/3  1/4 (marked by S)
Coordination6+6 (12co for A and 12aco for B)
SublatticesA – sh, B – hcp
PDB filesA3p, B8_1
Parametersc/a (A=B and c/2a≈1.63 for A3', c/a<1.6 for B81)
Special casesideal packing for c/2a=sqrt(8/3)≈1.63
maximum Madelung constant M=1.732 for c/2a≈1.77
SubstancesA3' – some rare-earth metals (see the table below),
B81 – transition metals + V-VI (see the table below)
Aac/2a
La3.7701.6126
Pr3.67211.6111
Nd3.65821.6124
Pm3.651.596
ABac/2a
FeS3.4451.673
CoS3.3671.525
NiS
CoSe3.6291.460
NiSe3.651.463
NiTe3.9571.353
PdTe4.1521.366
NiAs3.6191.391
MnSb4.1301.401
FeSb4.0671.264
NiSb3.921.304
PdSb4.061.377
PtSb4.1301.325
PdBi4.231.345