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Title: Materials Data on UCuP2 by Materials Project

Abstract

UCuP2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.77 Å) and four longer (2.88 Å) U–P bond lengths. Cu2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.42 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent U4+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mp-30534
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; UCuP2; Cu-P-U
OSTI Identifier:
1204933
DOI:
https://doi.org/10.17188/1204933

Citation Formats

The Materials Project. Materials Data on UCuP2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204933.
The Materials Project. Materials Data on UCuP2 by Materials Project. United States. doi:https://doi.org/10.17188/1204933
The Materials Project. 2017. "Materials Data on UCuP2 by Materials Project". United States. doi:https://doi.org/10.17188/1204933. https://www.osti.gov/servlets/purl/1204933. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1204933,
title = {Materials Data on UCuP2 by Materials Project},
author = {The Materials Project},
abstractNote = {UCuP2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.77 Å) and four longer (2.88 Å) U–P bond lengths. Cu2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.42 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent U4+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu2+ atoms.},
doi = {10.17188/1204933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}