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Title: Materials Data on PH4BrN4 by Materials Project

Abstract

(H2)2PN4Br crystallizes in the tetragonal P4/nbm space group. The structure is one-dimensional and consists of eight hydrogen molecules and four PN4Br ribbons oriented in the (0, 0, 1) direction. In each PN4Br ribbon, P5+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N2- atoms. All P–N bond lengths are 1.67 Å. N2- is bonded in a 1-coordinate geometry to one P5+, one N2-, and one Br1- atom. The N–N bond length is 1.46 Å. The N–Br bond length is 3.30 Å. Br1- is bonded in a 4-coordinate geometry to four equivalent N2- atoms.

Publication Date:
Other Number(s):
mp-1209884
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; PH4BrN4; Br-H-N-P
OSTI Identifier:
1746694
DOI:
https://doi.org/10.17188/1746694

Citation Formats

The Materials Project. Materials Data on PH4BrN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746694.
The Materials Project. Materials Data on PH4BrN4 by Materials Project. United States. doi:https://doi.org/10.17188/1746694
The Materials Project. 2020. "Materials Data on PH4BrN4 by Materials Project". United States. doi:https://doi.org/10.17188/1746694. https://www.osti.gov/servlets/purl/1746694. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1746694,
title = {Materials Data on PH4BrN4 by Materials Project},
author = {The Materials Project},
abstractNote = {(H2)2PN4Br crystallizes in the tetragonal P4/nbm space group. The structure is one-dimensional and consists of eight hydrogen molecules and four PN4Br ribbons oriented in the (0, 0, 1) direction. In each PN4Br ribbon, P5+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N2- atoms. All P–N bond lengths are 1.67 Å. N2- is bonded in a 1-coordinate geometry to one P5+, one N2-, and one Br1- atom. The N–N bond length is 1.46 Å. The N–Br bond length is 3.30 Å. Br1- is bonded in a 4-coordinate geometry to four equivalent N2- atoms.},
doi = {10.17188/1746694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}