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Title: Materials Data on CaUO4 by Materials Project

Abstract

CaUO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.17–2.55 Å. U6+ is bonded in a distorted square co-planar geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.97–2.46 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and one U6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and three equivalent U6+ atoms.

Publication Date:
Other Number(s):
mp-632927
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; CaUO4; Ca-O-U
OSTI Identifier:
1279356
DOI:
10.17188/1279356

Citation Formats

The Materials Project. Materials Data on CaUO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279356.
The Materials Project. Materials Data on CaUO4 by Materials Project. United States. doi:10.17188/1279356.
The Materials Project. 2020. "Materials Data on CaUO4 by Materials Project". United States. doi:10.17188/1279356. https://www.osti.gov/servlets/purl/1279356. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1279356,
title = {Materials Data on CaUO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaUO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.17–2.55 Å. U6+ is bonded in a distorted square co-planar geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.97–2.46 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and one U6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and three equivalent U6+ atoms.},
doi = {10.17188/1279356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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