Title: Materials Data on CaWF4 by Materials Project

Abstract

CaWF4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Ca–F bond lengths. W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom.

Publication Date:
Other Number(s):
mvc-14340
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-F-W; CaWF4; crystal structure
OSTI Identifier:
1319114
DOI:
https://doi.org/10.17188/1319114

Citation Formats

Materials Data on CaWF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319114.
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Materials Data on CaWF4 by Materials Project. United States. doi:https://doi.org/10.17188/1319114
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2020. "Materials Data on CaWF4 by Materials Project". United States. doi:https://doi.org/10.17188/1319114. https://www.osti.gov/servlets/purl/1319114. Pub date:Sun Aug 02 20:00:00 EDT 2020
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@article{osti_1319114,
title = {Materials Data on CaWF4 by Materials Project},
abstractNote = {CaWF4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Ca–F bond lengths. W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom.},
doi = {10.17188/1319114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}
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DOI: https://doi.org/10.17188/1319114
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