Materials Data on Er10In20Ni9 by Materials Project

Abstract

Er10Ni9In20 is beta Plutonium-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Er–Ni bond lengths are 3.03 Å. There are four shorter (3.25 Å) and four longer (3.28 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Er–Ni bond lengths are 3.01 Å. There are four shorter (3.21 Å) and four longer (3.35 Å) Er–In bond lengths. In the third Er site, Er is bonded in a 2-coordinate geometry to three Ni and nine In atoms. There are two shorter (2.90 Å) and one longer (3.31 Å) Er–Ni bond lengths. There are a spread of Er–In bond distances ranging from 3.07–3.38 Å. In the fourth Er site, Er is bonded in a 12-coordinate geometry to four Ni and ten In atoms. There are a spread of Er–Ni bond distances ranging from 3.03–3.43 Å. There are a spread of Er–In bond distances ranging from 3.15–3.66 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to five Er and five In atoms. There are a spread of Ni–In bond distances ranging from 2.72–2.81 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.63 Å) and four longer (2.91 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Er and six In atoms. There are a spread of Ni–In bond distances ranging from 2.67–2.95 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to five Er, three Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.16–3.29 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Er and three Ni atoms. In the third In site, In is bonded in a 11-coordinate geometry to four Er, three Ni, and two equivalent In atoms. In the fourth In site, In is bonded in a 2-coordinate geometry to four Er, two Ni, and one In atom. In the fifth In site, In is bonded in a 6-coordinate geometry to four Er and two equivalent Ni atoms.