Materials Data on ErCo3Si2 by Materials Project

ErCo3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er3+ is bonded in a hexagonal planar geometry to six equivalent Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.07 Å. There are two inequivalent Co+1.67+ sites. In the first Co+1.67+ site, Co+1.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. In the second Co+1.67+ site, Co+1.67+ is bonded in a rectangular see-saw-like geometry to four equivalent Si4- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Co–Si bond lengths. Si4- is bonded in a 10-coordinate geometry to three equivalent Er3+, six Co+1.67+, and one Si4- atom. The Si–Si bond length is 2.65 Å.

ErCo3Si2以正交晶系（orthorhombic）的Imma空间群结晶，其晶体结构为三维框架。Er³+以六方平面配位几何与6个等价的Si⁴-原子成键，Er–Si键距分布范围为2.96~3.07 Å。体系中存在两种不等价的Co⁺1.67+位点：在第一种Co⁺1.67+位点中，Co⁺1.67+以正方形共面配位几何与4个等价的Si⁴-原子成键，所有Co–Si键长均为2.31 Å；在第二种Co⁺1.67+位点中，Co⁺1.67+以矩形跷跷板状配位几何与4个等价的Si⁴-原子成键，其中包含2条较短的（2.30 Å）和2条较长的（2.31 Å）Co–Si键长。Si⁴-以十配位几何与3个等价的Er³+、6个Co⁺1.67+以及1个Si⁴-原子成键，Si–Si键长为2.65 Å。