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Title: Materials Data on Zr3(UGe2)2 by Materials Project

Abstract

U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-1207452
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; Zr3(UGe2)2; Ge-U-Zr
OSTI Identifier:
1758414
DOI:
https://doi.org/10.17188/1758414

Citation Formats

The Materials Project. Materials Data on Zr3(UGe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758414.
The Materials Project. Materials Data on Zr3(UGe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758414
The Materials Project. 2020. "Materials Data on Zr3(UGe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758414. https://www.osti.gov/servlets/purl/1758414. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758414,
title = {Materials Data on Zr3(UGe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.},
doi = {10.17188/1758414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}