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Title: Materials Data on UCuO4 by Materials Project

Abstract

CuUO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of U–O bond distances ranging from 1.92–2.27 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.96 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Cu2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1202194
Report Number(s):
mp-28073
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; UCuO4; Cu-O-U

Citation Formats

The Materials Project. Materials Data on UCuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202194.
The Materials Project. Materials Data on UCuO4 by Materials Project. United States. https://doi.org/10.17188/1202194
The Materials Project. 2020. "Materials Data on UCuO4 by Materials Project". United States. https://doi.org/10.17188/1202194. https://www.osti.gov/servlets/purl/1202194.
@article{osti_1202194,
title = {Materials Data on UCuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuUO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of U–O bond distances ranging from 1.92–2.27 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.96 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Cu2+ atom.},
doi = {10.17188/1202194},
url = {https://www.osti.gov/biblio/1202194}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}