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Title: Materials Data on Ce(WO4)2 by Materials Project

Abstract

Ce(WO4)2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ce4+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with six WO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.27 Å) Ce–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form distorted WO4 tetrahedra that share corners with three equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There is one shorter (1.75 Å) and three longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ce4+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ andmore » one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom.« less

Publication Date:
Other Number(s):
mp-770752
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; Ce(WO4)2; Ce-O-W
OSTI Identifier:
1300071
DOI:
10.17188/1300071

Citation Formats

The Materials Project. Materials Data on Ce(WO4)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1300071.
The Materials Project. Materials Data on Ce(WO4)2 by Materials Project. United States. doi:10.17188/1300071.
The Materials Project. 2017. "Materials Data on Ce(WO4)2 by Materials Project". United States. doi:10.17188/1300071. https://www.osti.gov/servlets/purl/1300071. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1300071,
title = {Materials Data on Ce(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(WO4)2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ce4+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with six WO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.27 Å) Ce–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form distorted WO4 tetrahedra that share corners with three equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There is one shorter (1.75 Å) and three longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ce4+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom.},
doi = {10.17188/1300071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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