Materials Data on Er3NF10 by Materials Project

Abstract

(Er3F10)2N2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of four ammonia molecules and one Er3F10 framework. In the Er3F10 framework, there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.34 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the fourth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the fifth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.34 Å. In the sixth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.35 Å. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the seventh F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the eighth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the ninth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the sixteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the seventeenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the eighteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the nineteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the twentieth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms.