DOI: 10.17188/1713531
title: Materials Data on Sm3Th5F27 by Materials Project

description: Th5Sm3F27 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Th–F bond distances ranging from 2.26–2.75 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.24–2.51 Å. In the third Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.19–2.49 Å. In the fourth Th4+ site, Th4+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.25–2.87 Å. In the fifth Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.29–2.70 Å. There are three inequivalent Sm+2.33+ sites. In the first Sm+2.33+ site, Sm+2.33+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sm–F bond distances ranging from 2.26–2.59 Å. In the second Sm+2.33+ site, Sm+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Sm–F bond distances ranging from 2.21–2.46 Å. In the third Sm+2.33+ site, Sm+2.33+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sm–F bond distances ranging from 2.20–2.59 Å. There are twenty-seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Th4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Th4+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Th4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to three Th4+ atoms. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Th4+ atoms. In the tenth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the eleventh F1- site, F1- is bonded in a trigonal planar geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the twelfth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the thirteenth F1- site, F1- is bonded in a trigonal planar geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the fourteenth F1- site, F1- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Sm+2.33+ atoms. In the fifteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Th4+ atoms. In the sixteenth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Sm+2.33+ atom. In the seventeenth F1- site, F1- is bonded in a trigonal planar geometry to three Th4+ atoms. In the eighteenth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Th4+ and one Sm+2.33+ atom. In the nineteenth F1- site, F1- is bonded in a 3-coordinate geometry to three Th4+ atoms. In the twentieth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Th4+ and one Sm+2.33+ atom. In the twenty-first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sm+2.33+ atoms. In the twenty-second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one Sm+2.33+ atom. In the twenty-third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one Sm+2.33+ atom. In the twenty-fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Th4+ atoms. In the twenty-fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one Sm+2.33+ atom. In the twenty-sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Th4+ and one Sm+2.33+ atom. In the twenty-seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sm+2.33+ atoms.