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Title: Materials Data on Er2ThOF10 by Materials Project

Abstract

(ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of four water molecules and one ThEr2F10 framework. In the ThEr2F10 framework, Th is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.28 Å) and four longer (2.47 Å) Th–F bond lengths. Er is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Er–F bond distances ranging from 2.17–2.36 Å. There are three inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to one Th and two equivalent Er atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Er atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one Er atom.

Publication Date:
Other Number(s):
mp-1225774
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; Er2ThOF10; Er-F-O-Th
OSTI Identifier:
1663734
DOI:
https://doi.org/10.17188/1663734

Citation Formats

The Materials Project. Materials Data on Er2ThOF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663734.
The Materials Project. Materials Data on Er2ThOF10 by Materials Project. United States. doi:https://doi.org/10.17188/1663734
The Materials Project. 2020. "Materials Data on Er2ThOF10 by Materials Project". United States. doi:https://doi.org/10.17188/1663734. https://www.osti.gov/servlets/purl/1663734. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1663734,
title = {Materials Data on Er2ThOF10 by Materials Project},
author = {The Materials Project},
abstractNote = {(ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of four water molecules and one ThEr2F10 framework. In the ThEr2F10 framework, Th is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.28 Å) and four longer (2.47 Å) Th–F bond lengths. Er is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Er–F bond distances ranging from 2.17–2.36 Å. There are three inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to one Th and two equivalent Er atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Er atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one Er atom.},
doi = {10.17188/1663734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}