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Title: Materials Data on Ca3U by Materials Project

Abstract

Ca3U is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent U atoms. All Ca–Ca bond lengths are 3.65 Å. All Ca–U bond lengths are 3.65 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent U atoms. All Ca–U bond lengths are 4.21 Å. U is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183533
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; Ca3U; Ca-U
OSTI Identifier:
1666686
DOI:
https://doi.org/10.17188/1666686

Citation Formats

The Materials Project. Materials Data on Ca3U by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666686.
The Materials Project. Materials Data on Ca3U by Materials Project. United States. doi:https://doi.org/10.17188/1666686
The Materials Project. 2020. "Materials Data on Ca3U by Materials Project". United States. doi:https://doi.org/10.17188/1666686. https://www.osti.gov/servlets/purl/1666686. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666686,
title = {Materials Data on Ca3U by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3U is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent U atoms. All Ca–Ca bond lengths are 3.65 Å. All Ca–U bond lengths are 3.65 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent U atoms. All Ca–U bond lengths are 4.21 Å. U is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.},
doi = {10.17188/1666686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}