Title: Materials Data on ZrBrN by Materials Project

Abstract

ZrNBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNBr sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Br1- atoms. All Zr–N bond lengths are 2.17 Å. All Zr–Br bond lengths are 2.92 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-541912
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Br-N-Zr; crystal structure; ZrBrN
OSTI Identifier:
1266312
DOI:
https://doi.org/10.17188/1266312

Citation Formats

Materials Data on ZrBrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266312.
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Materials Data on ZrBrN by Materials Project. United States. doi:https://doi.org/10.17188/1266312
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2020. "Materials Data on ZrBrN by Materials Project". United States. doi:https://doi.org/10.17188/1266312. https://www.osti.gov/servlets/purl/1266312. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1266312,
title = {Materials Data on ZrBrN by Materials Project},
abstractNote = {ZrNBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNBr sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Br1- atoms. All Zr–N bond lengths are 2.17 Å. All Zr–Br bond lengths are 2.92 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1266312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1266312
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