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Title: Materials Data on Pa3Br by Materials Project

Abstract

Pa3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing PaBr4 cuboctahedra. All Pa–Br bond lengths are 3.19 Å. In the second Pa site, Pa is bonded in a distorted square co-planar geometry to four equivalent Br atoms. All Pa–Br bond lengths are 3.21 Å. Br is bonded to twelve Pa atoms to form a mixture of face, edge, and corner-sharing BrPa12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1186382
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; Pa3Br; Br-Pa
OSTI Identifier:
1753965
DOI:
https://doi.org/10.17188/1753965

Citation Formats

The Materials Project. Materials Data on Pa3Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753965.
The Materials Project. Materials Data on Pa3Br by Materials Project. United States. doi:https://doi.org/10.17188/1753965
The Materials Project. 2020. "Materials Data on Pa3Br by Materials Project". United States. doi:https://doi.org/10.17188/1753965. https://www.osti.gov/servlets/purl/1753965. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753965,
title = {Materials Data on Pa3Br by Materials Project},
author = {The Materials Project},
abstractNote = {Pa3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing PaBr4 cuboctahedra. All Pa–Br bond lengths are 3.19 Å. In the second Pa site, Pa is bonded in a distorted square co-planar geometry to four equivalent Br atoms. All Pa–Br bond lengths are 3.21 Å. Br is bonded to twelve Pa atoms to form a mixture of face, edge, and corner-sharing BrPa12 cuboctahedra.},
doi = {10.17188/1753965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}