Materials Data on Sr3In11 by Materials Project

Abstract

Sr3In11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to fourteen In atoms. There are a spread of Sr–In bond distances ranging from 3.49–3.88 Å. In the second Sr site, Sr is bonded to twelve In atoms to form SrIn12 cuboctahedra that share edges with two equivalent InSr4In8 cuboctahedra and faces with two equivalent SrIn12 cuboctahedra. There are eight shorter (3.70 Å) and four longer (3.74 Å) Sr–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four Sr and six In atoms. There are a spread of In–In bond distances ranging from 3.02–3.33 Å. In the second In site, In is bonded in a 9-coordinate geometry to four Sr and five In atoms. There are one shorter (2.90 Å) and one longer (3.04 Å) In–In bond lengths. In the third In site, In is bonded in a 10-coordinate geometry to two equivalent Sr and eight In atoms. Both In–In bond lengths are 3.34 Å. In the fourth In site, In is bonded to four equivalent Sr and eight In atoms to form InSr4In8 cuboctahedra that share edges with two equivalent SrIn12 cuboctahedra and faces with two equivalent InSr4In8 cuboctahedra.