Materials Data on SrLa5F17 by Materials Project

Abstract

SrLa5F17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–3.01 Å. There are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.36–2.97 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.82 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.40–2.71 Å. In the fourth La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.35–2.91 Å. In the fifth La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.37–2.85 Å. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sr2+ and two La3+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to three La3+ atoms. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to three La3+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to four La3+ atoms. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to four La3+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to four La3+ atoms. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to one Sr2+ and three La3+ atoms. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to one Sr2+ and three La3+ atoms. In the eleventh F1- site, F1- is bonded in a 2-coordinate geometry to one Sr2+ and two La3+ atoms. In the twelfth F1- site, F1- is bonded in a trigonal planar geometry to one Sr2+ and two La3+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three La3+ atoms. In the fourteenth F1- site, F1- is bonded in a trigonal planar geometry to one Sr2+ and two La3+ atoms. In the fifteenth F1- site, F1- is bonded in a 3-coordinate geometry to one Sr2+ and three La3+ atoms. In the sixteenth F1- site, F1- is bonded in a 3-coordinate geometry to four La3+ atoms. In the seventeenth F1- site, F1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms.