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Title: Materials Data on Ce2WO6 by Materials Project

Abstract

Ce2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.53 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.62 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.75 Å. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.93–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce3+ and one W6+ atom. In the fourthmore » O2- site, O2- is bonded to four Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six OCe4 tetrahedra and edges with four OCe3W tetrahedra. In the fifth O2- site, O2- is bonded to three Ce3+ and one W6+ atom to form a mixture of edge and corner-sharing OCe3W tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one W6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1214437
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce2WO6; Ce-O-W
OSTI Identifier:
1740749
DOI:
https://doi.org/10.17188/1740749

Citation Formats

The Materials Project. Materials Data on Ce2WO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740749.
The Materials Project. Materials Data on Ce2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1740749
The Materials Project. 2020. "Materials Data on Ce2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1740749. https://www.osti.gov/servlets/purl/1740749. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740749,
title = {Materials Data on Ce2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.53 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.62 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.75 Å. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.93–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce3+ and one W6+ atom. In the fourth O2- site, O2- is bonded to four Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six OCe4 tetrahedra and edges with four OCe3W tetrahedra. In the fifth O2- site, O2- is bonded to three Ce3+ and one W6+ atom to form a mixture of edge and corner-sharing OCe3W tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one W6+ atom.},
doi = {10.17188/1740749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}