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Title: Materials Data on U3(CuGe)4 by Materials Project

Abstract

U3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.09 Å) U–Cu bond lengths. There are four shorter (3.05 Å) and two longer (3.10 Å) U–Ge bond lengths. In the second U site, U is bonded to six Ge atoms to form edge-sharing UGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.97 Å) U–Ge bond lengths. Cu is bonded in a 4-coordinate geometry to three equivalent U, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.48 Å. There are a spread of Cu–Ge bond distances ranging from 2.46–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three U and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six U, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4242
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; U3(CuGe)4; Cu-Ge-U
OSTI Identifier:
1207993
DOI:
10.17188/1207993

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U3(CuGe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207993.
Persson, Kristin, & Project, Materials. Materials Data on U3(CuGe)4 by Materials Project. United States. doi:10.17188/1207993.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U3(CuGe)4 by Materials Project". United States. doi:10.17188/1207993. https://www.osti.gov/servlets/purl/1207993. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207993,
title = {Materials Data on U3(CuGe)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.09 Å) U–Cu bond lengths. There are four shorter (3.05 Å) and two longer (3.10 Å) U–Ge bond lengths. In the second U site, U is bonded to six Ge atoms to form edge-sharing UGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.97 Å) U–Ge bond lengths. Cu is bonded in a 4-coordinate geometry to three equivalent U, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.48 Å. There are a spread of Cu–Ge bond distances ranging from 2.46–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three U and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six U, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.57 Å.},
doi = {10.17188/1207993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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