Materials Data on Er3Ge13Rh4 by Materials Project

Er3Rh4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Ge atoms. All Er–Rh bond lengths are 3.19 Å. There are eight shorter (3.13 Å) and four longer (3.23 Å) Er–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Rh–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Er, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 3.10 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

Er₃Rh₄Ge₁₃结晶于立方Pm-3n空间群（space group），其晶体结构为三维结构。铒（Er）原子采取8配位几何构型（coordination geometry），与4个等价的铑（Rh）原子和12个等价的锗（Ge）原子成键。所有Er-Rh键的键长均为3.19 Å。Er-Ge键存在两类：8个较短键的键长为3.13 Å，4个较长键的键长为3.23 Å。铑（Rh）原子采取6配位几何构型（coordination geometry），与3个等价的Er原子和6个等价的Ge原子成键，所有Rh-Ge键的键长均为2.50 Å。体系中存在两类不等价的Ge原子位点（inequivalent site）：在第一类Ge位点中，Ge原子以2配位几何环境与3个等价的Er原子、2个等价的Rh原子及1个Ge原子成键，Ge-Ge键长为3.10 Å；在第二类Ge位点中，Ge原子采取立方八面体配位几何（cuboctahedral coordination geometry），与12个等价的Ge原子成键。