Inorganic Chemistry, Vol.46, No.7, 2877-2882, 2007
Ternary zirconium tin antimonide ZrSn2-xSbx (0.2 < x < 0.8), different from the parent binaries ZrSn2 and ZrSb2
The new intermetallic phase ZrSn2-xSbx was prepared by arc-melting and annealing at 800 degrees C. It adopts the hexagonal CrSi2-type structure (Pearson symbol hP9, space group P6(2)22 (or P6(4)22), Z = 3, a = 5.51-5.53 angstrom, c = 7.65-7.63 angstrom) and exhibits a significant phase width (0.2 < x < 0.8). In contrast, the parent binary phases adopt different structures: ZrSn2 has the orthorhombic TiSi2-type structure, and ZrSb2 exists as two orthorhombic forms (alpha-ZrSb2, own type; "beta-ZrSb2", PbCl2-type). The structures of ZrSn2, ZrSn2-xSbx, and beta-ZrSb2 are distinguished by the stacking and distortion of nets with composition "ZrQ(2)" (Q = Sn, Sb). The CrSi2-type and TiSi2-type structures differ only minimally in energy, but interlayer Sb-Sb bonding is important in stabilizing the structure of beta-ZrSb2.