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Title: 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.more » 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.« less

Publication Date:
Other Number(s):
mp-1181827
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er3NF10; Er-F-N
OSTI Identifier:
1757776
DOI:
https://doi.org/10.17188/1757776

Citation Formats

The Materials Project. Materials Data on Er3NF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757776.
The Materials Project. Materials Data on Er3NF10 by Materials Project. United States. doi:https://doi.org/10.17188/1757776
The Materials Project. 2020. "Materials Data on Er3NF10 by Materials Project". United States. doi:https://doi.org/10.17188/1757776. https://www.osti.gov/servlets/purl/1757776. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757776,
title = {Materials Data on Er3NF10 by Materials Project},
author = {The Materials Project},
abstractNote = {(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.},
doi = {10.17188/1757776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}