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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-541912
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ZrBrN; Br-N-Zr
- OSTI Identifier:
- 1266312
- DOI:
- https://doi.org/10.17188/1266312
Citation Formats
The Materials Project. Materials Data on ZrBrN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266312.
The Materials Project. Materials Data on ZrBrN by Materials Project. United States. doi:https://doi.org/10.17188/1266312
The Materials Project. 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:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266312,
title = {Materials Data on ZrBrN by Materials Project},
author = {The 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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