DOI: 10.17188/1705950
title: Materials Data on Y2(InSn)3 by Materials Project

description: Y2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Y is bonded to six In and six Sn atoms to form YIn6Sn6 cuboctahedra that share corners with twelve equivalent YIn6Sn6 cuboctahedra, edges with twelve InY4In2Sn6 cuboctahedra, edges with twelve SnY4In4Sn4 cuboctahedra, faces with six equivalent YIn6Sn6 cuboctahedra, faces with six InY4In2Sn6 cuboctahedra, and faces with six SnY4In4Sn4 cuboctahedra. There are four shorter (3.32 Å) and two longer (3.33 Å) Y–In bond lengths. There are a spread of Y–Sn bond distances ranging from 3.30–3.33 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Y, two equivalent In, and six Sn atoms to form distorted InY4In2Sn6 cuboctahedra that share corners with twelve equivalent InY4In2Sn6 cuboctahedra, edges with four equivalent InY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with twelve SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In4Sn4 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. Both In–In bond lengths are 3.31 Å. There are a spread of In–Sn bond distances ranging from 3.31–3.33 Å. In the second In site, In is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted InY4In4Sn4 cuboctahedra that share corners with four equivalent InY4In4Sn4 cuboctahedra, corners with eight equivalent SnY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In4Sn4 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. All In–Sn bond lengths are 3.32 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted SnY4In4Sn4 cuboctahedra that share corners with four equivalent SnY4In4Sn4 cuboctahedra, corners with eight equivalent InY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In8 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six InY4In2Sn6 cuboctahedra, and faces with eight SnY4In4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.32 Å. In the second Sn site, Sn is bonded to four equivalent Y and eight In atoms to form SnY4In8 cuboctahedra that share corners with twelve SnY4In8 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In8 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. In the third Sn site, Sn is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted SnY4In4Sn4 cuboctahedra that share corners with twelve SnY4In8 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with sixteen InY4In2Sn6 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with four equivalent InY4In2Sn6 cuboctahedra, and faces with ten SnY4In4Sn4 cuboctahedra.