Materials Data on BiBr7(N3F2)2 by Materials Project
Abstract
Bi(N3Br3F)2BrF2 is alpha bismuth trifluoride structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four bismuth, elemental molecules; four BrF2 clusters; and eight N3Br3F clusters. In each BrF2 cluster, Br1- is bonded in a linear geometry to two equivalent F1- atoms. Both Br–F bond lengths are 1.92 Å. F1- is bonded in a single-bond geometry to one Br1- atom. In each N3Br3F cluster, N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. Br1- is bonded in a linear geometry to one N1+ and one F1- atom. The Br–F bond length is 2.41 Å. F1- is bonded in a trigonal non-coplanar geometry to three equivalent Br1- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182391
- 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; BiBr7(N3F2)2; Bi-Br-F-N
- OSTI Identifier:
- 1716390
- DOI:
- https://doi.org/10.17188/1716390
Citation Formats
The Materials Project. Materials Data on BiBr7(N3F2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716390.
The Materials Project. Materials Data on BiBr7(N3F2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1716390
The Materials Project. 2020.
"Materials Data on BiBr7(N3F2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1716390. https://www.osti.gov/servlets/purl/1716390. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1716390,
title = {Materials Data on BiBr7(N3F2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi(N3Br3F)2BrF2 is alpha bismuth trifluoride structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four bismuth, elemental molecules; four BrF2 clusters; and eight N3Br3F clusters. In each BrF2 cluster, Br1- is bonded in a linear geometry to two equivalent F1- atoms. Both Br–F bond lengths are 1.92 Å. F1- is bonded in a single-bond geometry to one Br1- atom. In each N3Br3F cluster, N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. Br1- is bonded in a linear geometry to one N1+ and one F1- atom. The Br–F bond length is 2.41 Å. F1- is bonded in a trigonal non-coplanar geometry to three equivalent Br1- atoms.},
doi = {10.17188/1716390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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