DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PBr2N by Materials Project

Abstract

PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-570315
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; PBr2N; Br-N-P
OSTI Identifier:
1275636
DOI:
https://doi.org/10.17188/1275636

Citation Formats

The Materials Project. Materials Data on PBr2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275636.
The Materials Project. Materials Data on PBr2N by Materials Project. United States. doi:https://doi.org/10.17188/1275636
The Materials Project. 2020. "Materials Data on PBr2N by Materials Project". United States. doi:https://doi.org/10.17188/1275636. https://www.osti.gov/servlets/purl/1275636. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1275636,
title = {Materials Data on PBr2N by Materials Project},
author = {The Materials Project},
abstractNote = {PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1275636},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}