DOI: 10.17188/1656140
title: Materials Data on Er36In8Fe7 by Materials Project

description: Er36Fe7In8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are twelve inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Fe and two In atoms. There are one shorter (2.87 Å) and one longer (2.93 Å) Er–Fe bond lengths. There are one shorter (3.49 Å) and one longer (3.50 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to two Fe and two In atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Fe bond lengths. There are one shorter (3.50 Å) and one longer (3.52 Å) Er–In bond lengths. In the third Er site, Er is bonded in a 4-coordinate geometry to two Fe and two In atoms. There are one shorter (2.85 Å) and one longer (2.90 Å) Er–Fe bond lengths. There are one shorter (3.49 Å) and one longer (3.52 Å) Er–In bond lengths. In the fourth Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.95 Å. There are a spread of Er–In bond distances ranging from 3.14–3.74 Å. In the fifth Er site, Er is bonded in a 3-coordinate geometry to two Fe and two In atoms. There are one shorter (2.98 Å) and one longer (2.99 Å) Er–Fe bond lengths. There are one shorter (3.17 Å) and one longer (3.92 Å) Er–In bond lengths. In the sixth Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.98 Å. There are two shorter (3.15 Å) and one longer (3.76 Å) Er–In bond lengths. In the seventh Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.94 Å. There are a spread of Er–In bond distances ranging from 3.15–3.71 Å. In the eighth Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.97 Å. There are two shorter (3.17 Å) and one longer (3.68 Å) Er–In bond lengths. In the ninth Er site, Er is bonded in a 3-coordinate geometry to two Fe and two In atoms. There are one shorter (2.92 Å) and one longer (2.97 Å) Er–Fe bond lengths. There are one shorter (3.17 Å) and one longer (3.97 Å) Er–In bond lengths. In the tenth Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.97 Å. There are a spread of Er–In bond distances ranging from 3.15–3.74 Å. In the eleventh Er site, Er is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Er–Fe bond length is 2.97 Å. There are a spread of Er–In bond distances ranging from 3.15–3.71 Å. In the twelfth Er site, Er is bonded in a 3-coordinate geometry to two Fe and two In atoms. There are one shorter (2.95 Å) and one longer (2.97 Å) Er–Fe bond lengths. There are one shorter (3.16 Å) and one longer (3.96 Å) Er–In bond lengths. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to eight Er and one Fe atom. The Fe–Fe bond length is 2.17 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to eight Er and one Fe atom. The Fe–Fe bond length is 2.18 Å. In the third Fe site, Fe is bonded in a 9-coordinate geometry to eight Er and one Fe atom. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to eight Er atoms. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to twelve Er atoms. In the second In site, In is bonded in a 12-coordinate geometry to twelve Er atoms. In the third In site, In is bonded in a distorted cuboctahedral geometry to twelve Er atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to twelve Er atoms. In the fifth In site, In is bonded in a body-centered cubic geometry to eight Er atoms.