Materials Data on K4SnSb2F14 by Materials Project

Abstract

K4SnSb2F14 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.03 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.67–3.25 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.01 Å) and two longer (2.02 Å) Sn–F bond lengths. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.11 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom.