Materials Data on KIn2F7 by Materials Project

Abstract

KIn2F7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.80–2.85 Å. In the second K1+ site, K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.89–3.09 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing InF7 pentagonal bipyramids. There are a spread of In–F bond distances ranging from 2.13–2.22 Å. In the second In3+ site, In3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing InF7 pentagonal bipyramids. There are a spread of In–F bond distances ranging from 2.10–2.23 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two In3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two equivalent In3+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two equivalent In3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two K1+ and two equivalent In3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two equivalent In3+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent In3+ atoms. In the seventh F1- site, F1- is bonded in a linear geometry to two equivalent In3+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent In3+ atoms. In the ninth F1- site, F1- is bonded in a linear geometry to two equivalent In3+ atoms.