Materials Data on Tm2In8Co by Materials Project

Abstract

Tm2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve In atoms to form TmIn12 cuboctahedra that share corners with eight equivalent TmIn12 cuboctahedra, edges with twelve InTm4In8 cuboctahedra, faces with five equivalent TmIn12 cuboctahedra, and faces with eight InTm4In8 cuboctahedra. There are eight shorter (3.24 Å) and four longer (3.28 Å) Tm–In bond lengths. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.72 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. There are one shorter (2.92 Å) and two longer (3.21 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Tm and eight In atoms to form distorted InTm4In8 cuboctahedra that share corners with eight equivalent InTm4In8 cuboctahedra, edges with four equivalent TmIn12 cuboctahedra, edges with eight equivalent InTm4In8 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with nine InTm4In8 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.31 Å) In–In bond lengths. In the fourth In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. Both In–Tm bond lengths are 3.24 Å. All In–In bond lengths are 3.24 Å. In the fifth In site, In is bonded to four equivalent Tm and eight In atoms to form distorted InTm4In8 cuboctahedra that share corners with four equivalent InTm4In8 cuboctahedra, edges with eight equivalent TmIn12 cuboctahedra, edges with eight equivalent InTm4In8 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with twelve InTm4In8 cuboctahedra. All In–In bond lengths are 3.24 Å. In the sixth In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. Both In–Tm bond lengths are 3.24 Å.