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Title: Materials Data on ZrBrN by Materials Project

Abstract

ZrNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNBr sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. All Zr–N bond lengths are 2.17 Å. Both Zr–Br bond lengths are 2.78 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing NZr4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-570157
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:
1268458
DOI:
10.17188/1268458

Citation Formats

The Materials Project. Materials Data on ZrBrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268458.
The Materials Project. Materials Data on ZrBrN by Materials Project. United States. doi:10.17188/1268458.
The Materials Project. 2020. "Materials Data on ZrBrN by Materials Project". United States. doi:10.17188/1268458. https://www.osti.gov/servlets/purl/1268458. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268458,
title = {Materials Data on ZrBrN by Materials Project},
author = {The Materials Project},
abstractNote = {ZrNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNBr sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. All Zr–N bond lengths are 2.17 Å. Both Zr–Br bond lengths are 2.78 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing NZr4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1268458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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