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Title: Materials Data on U2CuSi3 by Materials Project

Abstract

U2CuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.01–3.08 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are six shorter (2.98 Å) and two longer (3.08 Å) U–Si bond lengths. Cu2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Cu–Si bond lengths are 2.27 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are two shorter (2.33 Å) and one longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Cu2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Cu2+, and two equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216812
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; U2CuSi3; Cu-Si-U
OSTI Identifier:
1746614
DOI:
https://doi.org/10.17188/1746614

Citation Formats

The Materials Project. Materials Data on U2CuSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746614.
The Materials Project. Materials Data on U2CuSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1746614
The Materials Project. 2020. "Materials Data on U2CuSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1746614. https://www.osti.gov/servlets/purl/1746614. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1746614,
title = {Materials Data on U2CuSi3 by Materials Project},
author = {The Materials Project},
abstractNote = {U2CuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.01–3.08 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are six shorter (2.98 Å) and two longer (3.08 Å) U–Si bond lengths. Cu2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Cu–Si bond lengths are 2.27 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are two shorter (2.33 Å) and one longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Cu2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Cu2+, and two equivalent Si4- atoms.},
doi = {10.17188/1746614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}