Materials Data on Sm2CdSb4 by Materials Project

Sm2CdSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.23 Å) and four longer (3.32 Å) Sm–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form corner-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.89 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to four equivalent Sm3+ and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing SbSm4Cd2 pentagonal pyramids. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.08 Å.

Sm2CdSb4结晶于四方晶系P-4m2空间群（space group）。其结构呈三维特征。Sm³⁺以八配位几何构型与八个Sb²⁻原子键合，其中Sm–Sb键长包含四种较短键（3.23 Å）和四种较长键（3.32 Å）。Cd²⁺与四个等价的Sb²⁻原子键合，形成共角相连的CdSb4四面体（tetrahedra），所有Cd–Sb键长均为2.89 Å。该结构中存在两种不等价的Sb²⁻位点（sites）：在第一个Sb²⁻位点，Sb²⁻与四个等价的Sm³⁺及两个等价的Cd²⁺原子键合，构成扭曲的共角、共边及共面的SbSm4Cd2五角锥（pentagonal pyramids）混合结构；在第二个Sb²⁻位点，Sb²⁻以八配位几何构型与四个等价的Sm³⁺及四个等价的Sb²⁻原子键合，所有Sb–Sb键长均为3.08 Å。