Materials Data on Sr2InF7 by Materials Project

Abstract

Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.73 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the seventh F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra.