Ternary Zirconium Tin Antimonide ZrSn₂_-<i>_x</i>Sb<i>_x</i> (0.2 < <i>x</i> < 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 °C. It adopts the hexagonal CrSi2-type structure (Pearson symbol hP9, space group P6222 (or P6422), Z = 3, a = 5.51−5.53 Å, c = 7.65−7.63 Å) 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 (α-ZrSb2, own type; “β-ZrSb2”, PbCl2-type). The structures of ZrSn2, ZrSn2-xSbx, and β-ZrSb2 are distinguished by the stacking and distortion of nets with composition “ZrQ2” (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 β-ZrSb2.新型金属间相ZrSn₂₋ₓSbₓ通过电弧熔炼与800℃退火工艺制备得到。该相采用六方CrSi₂型晶体结构（皮尔逊符号（Pearson symbol）hP9，空间群（space group）P6₂22（或P6₄22），晶胞原子数Z=3，晶胞参数a=5.51~5.53 Å，c=7.65~7.63 Å），且存在显著的相宽范围（0.2 < x < 0.8）。与之相对，其母体二元相则采用不同的晶体结构：ZrSn₂为斜方晶系TiSi₂型结构，而ZrSb₂存在两种斜方晶系变体——α-ZrSb₂具有专属结构型，“β-ZrSb₂”则为PbCl₂型结构。ZrSn₂、ZrSn₂₋ₓSbₓ与β-ZrSb₂的晶体结构差异，可通过组成为“ZrQ₂”（Q=Sn、Sb）的原子网的堆垛方式与畸变程度加以区分。CrSi₂型与TiSi₂型结构的能量差异极小，但层间Sb-Sb键合对于稳定β-ZrSb₂的晶体结构具有重要作用。