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Title: Materials Data on ZrBrN by Materials Project

Abstract

ZrNBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNBr sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Zr–N bond lengths are 2.10 Å. All Zr–Br bond lengths are 2.87 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-1172825
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; ZrBrN; Br-N-Zr
OSTI Identifier:
1652261
DOI:
https://doi.org/10.17188/1652261

Citation Formats

The Materials Project. Materials Data on ZrBrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652261.
The Materials Project. Materials Data on ZrBrN by Materials Project. United States. doi:https://doi.org/10.17188/1652261
The Materials Project. 2020. "Materials Data on ZrBrN by Materials Project". United States. doi:https://doi.org/10.17188/1652261. https://www.osti.gov/servlets/purl/1652261. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652261,
title = {Materials Data on ZrBrN by Materials Project},
author = {The Materials Project},
abstractNote = {ZrNBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNBr sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Zr–N bond lengths are 2.10 Å. All Zr–Br bond lengths are 2.87 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1652261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}