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Title: Materials Data on UNiAs by Materials Project

Abstract

UNiAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 2.91 Å. All U–As bond lengths are 3.07 Å. In the second U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 3.14 Å. All U–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six U and three equivalent As atoms. All Ni–As bond lengths are 2.35 Å. As is bonded in a 3-coordinate geometry to six U and three equivalent Ni atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207854
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; UNiAs; As-Ni-U
OSTI Identifier:
1663067
DOI:
https://doi.org/10.17188/1663067

Citation Formats

The Materials Project. Materials Data on UNiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663067.
The Materials Project. Materials Data on UNiAs by Materials Project. United States. doi:https://doi.org/10.17188/1663067
The Materials Project. 2020. "Materials Data on UNiAs by Materials Project". United States. doi:https://doi.org/10.17188/1663067. https://www.osti.gov/servlets/purl/1663067. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1663067,
title = {Materials Data on UNiAs by Materials Project},
author = {The Materials Project},
abstractNote = {UNiAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 2.91 Å. All U–As bond lengths are 3.07 Å. In the second U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 3.14 Å. All U–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six U and three equivalent As atoms. All Ni–As bond lengths are 2.35 Å. As is bonded in a 3-coordinate geometry to six U and three equivalent Ni atoms.},
doi = {10.17188/1663067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}