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Title: Materials Data on UNiAs2 by Materials Project

Abstract

UNiAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.93 Å) and four longer (3.00 Å) U–As bond lengths. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.45 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent As3- atoms. All As–As bond lengths are 2.79 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Ni2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22159
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; UNiAs2; As-Ni-U
OSTI Identifier:
1197385
DOI:
10.17188/1197385

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on UNiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197385.
Persson, Kristin, & Project, Materials. Materials Data on UNiAs2 by Materials Project. United States. doi:10.17188/1197385.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on UNiAs2 by Materials Project". United States. doi:10.17188/1197385. https://www.osti.gov/servlets/purl/1197385. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197385,
title = {Materials Data on UNiAs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UNiAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.93 Å) and four longer (3.00 Å) U–As bond lengths. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.45 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent As3- atoms. All As–As bond lengths are 2.79 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Ni2+ atoms.},
doi = {10.17188/1197385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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