Materials Data on GaSn3 by Materials Project

Abstract

GaSn3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ga is bonded to twelve equivalent Sn atoms to form GaSn12 cuboctahedra that share corners with six equivalent GaSn12 cuboctahedra, corners with twelve equivalent SnGa4Sn8 cuboctahedra, edges with eighteen equivalent SnGa4Sn8 cuboctahedra, faces with eight equivalent GaSn12 cuboctahedra, and faces with twelve equivalent SnGa4Sn8 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.33 Å) Ga–Sn bond lengths. Sn is bonded to four equivalent Ga and eight equivalent Sn atoms to form SnGa4Sn8 cuboctahedra that share corners with four equivalent GaSn12 cuboctahedra, corners with fourteen equivalent SnGa4Sn8 cuboctahedra, edges with six equivalent GaSn12 cuboctahedra, edges with twelve equivalent SnGa4Sn8 cuboctahedra, faces with four equivalent GaSn12 cuboctahedra, and faces with sixteen equivalent SnGa4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.24–3.37 Å.