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Title: Materials Data on Ce2(WO4)3 by Materials Project

Abstract

Ce2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.56 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded inmore » a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-505428
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; Ce2(WO4)3; Ce-O-W
OSTI Identifier:
1262532
DOI:
https://doi.org/10.17188/1262532

Citation Formats

The Materials Project. Materials Data on Ce2(WO4)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1262532.
The Materials Project. Materials Data on Ce2(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1262532
The Materials Project. 2017. "Materials Data on Ce2(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1262532. https://www.osti.gov/servlets/purl/1262532. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1262532,
title = {Materials Data on Ce2(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.56 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom.},
doi = {10.17188/1262532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}