Materials Data on ErNiSn2 by Materials Project

Abstract

ErNiSn2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Er–Ni bond distances ranging from 3.27–3.50 Å. There are a spread of Er–Sn bond distances ranging from 3.10–3.18 Å. In the second Er site, Er is bonded in a 11-coordinate geometry to three Ni and nine Sn atoms. There are two shorter (3.06 Å) and one longer (3.50 Å) Er–Ni bond lengths. There are a spread of Er–Sn bond distances ranging from 3.13–3.53 Å. In the third Er site, Er is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.11 Å) and two longer (3.25 Å) Er–Ni bond lengths. There are a spread of Er–Sn bond distances ranging from 3.11–3.57 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Er and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Er and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.50–2.80 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Er and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.67 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Er, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Er and three Ni atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Er and two Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Er and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Er, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Er and one Ni atom.