Materials Data on ErIn2Pd by Materials Project

Abstract

ErPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to four Pd and nine In atoms. There are a spread of Er–Pd bond distances ranging from 3.08–3.68 Å. There are a spread of Er–In bond distances ranging from 3.14–3.46 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to four Pd and eight In atoms. There are a spread of Er–Pd bond distances ranging from 3.06–3.26 Å. There are a spread of Er–In bond distances ranging from 3.19–3.55 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Er–Pd bond lengths are 3.23 Å. There are four shorter (3.28 Å) and four longer (3.35 Å) Er–In bond lengths. In the fourth Er site, Er is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Er–Pd bond lengths are 2.96 Å. There are four shorter (3.34 Å) and four longer (3.37 Å) Er–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to four Er and six In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two equivalent Er and eight In atoms. There are four shorter (2.81 Å) and four longer (2.86 Å) Pd–In bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Er and five In atoms. There are two shorter (2.81 Å) and three longer (2.87 Å) Pd–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Er, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.17 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Er and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Er, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Er and three Pd atoms.