Tkachuk Andriy V, Piercey Davin G, Mar Arthur
Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada.
Inorg Chem. 2007 Apr 2;46(7):2877-82. doi: 10.1021/ic062277r. Epub 2007 Feb 13.
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 P6222 (or P6422), Z = 3, a = 5.51-5.53 A, c = 7.65-7.63 A) 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 "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 beta-ZrSb2.
通过电弧熔炼并在800摄氏度退火制备了新型金属间相ZrSn2-xSbx。它采用六方CrSi2型结构（皮尔逊符号hP9，空间群P6222（或P6422），Z = 3，a = 5.51 - 5.53 Å，c = 7.65 - 7.63 Å），并且呈现出显著的相宽（0.2 < x < 0.8）。相比之下，母体二元相采用不同的结构：ZrSn2具有正交晶系的TiSi2型结构，而ZrSb2以两种正交晶系形式存在（α-ZrSb2，自身类型；“β-ZrSb2”，PbCl2型）。ZrSn2、ZrSn2-xSbx和β-ZrSb2的结构通过具有“ZrQ2”（Q = Sn，Sb）组成的网络的堆积和畸变来区分。CrSi2型和TiSi2型结构在能量上仅存在极小差异，但层间Sb - Sb键合对于稳定β-ZrSb2的结构很重要。
