Synthesis, Structural Characterization, and Ab Initio Study of Cu(5+δ)In(2+x)Sb(2-x): A New B8-Related Structure Type.
A new ternary orthorhombic compound with the formula Cu(5+δ)In(2+x)Sb(2-x), crystallizing in the space group Cmc2(1) with 36 atoms per unit cell [a = 10.1813(4) Å, b = 8.4562(4) Å, c = 7.3774(2) Å, Z = 4], has been synthesized by conventional high-temperature methods. The structure is based on the B8 archetype (NiAs/Ni(2)In) and features In/Sb ordering as well as ordering of interstitial copper. D
