Materials Data on Sc5(In2Co)2 by Materials Project

Abstract

Sc5(CoIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.06 Å) and four longer (3.17 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Co and six In atoms. Both Sc–Co bond lengths are 2.56 Å. There are a spread of Sc–In bond distances ranging from 3.00–3.25 Å. In the third Sc site, Sc is bonded in a 10-coordinate geometry to four Co and six In atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Sc–Co bond lengths. There are a spread of Sc–In bond distances ranging from 3.07–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. Both Co–Sc bond lengths are 2.56 Å. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight Sc, one Co, and one In atom. The In–In bond length is 3.17 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. The In–Co bond length is 2.79 Å. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are four shorter (3.07 Å) and two longer (3.21 Å) In–Sc bond lengths. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fourth In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are a spread of In–Sc bond distances ranging from 3.07–3.21 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fifth In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. There are two shorter (3.07 Å) and two longer (3.17 Å) In–Sc bond lengths. The In–Co bond length is 3.08 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths.