Materials Data on InSn3 by Materials Project

Abstract

InSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In is bonded to twelve equivalent Sn atoms to form InSn12 cuboctahedra that share corners with six equivalent InSn12 cuboctahedra, corners with twelve equivalent SnIn4Sn8 cuboctahedra, edges with eighteen equivalent SnIn4Sn8 cuboctahedra, faces with eight equivalent InSn12 cuboctahedra, and faces with twelve equivalent SnIn4Sn8 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.41 Å) In–Sn bond lengths. Sn is bonded to four equivalent In and eight equivalent Sn atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent InSn12 cuboctahedra, corners with fourteen equivalent SnIn4Sn8 cuboctahedra, edges with six equivalent InSn12 cuboctahedra, edges with twelve equivalent SnIn4Sn8 cuboctahedra, faces with four equivalent InSn12 cuboctahedra, and faces with sixteen equivalent SnIn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.36–3.41 Å.