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Title: Materials Data on PBr3O by Materials Project

Abstract

POBr3 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P5+ is bonded in a distorted tetrahedral geometry to one O2- and three Br1- atoms. The P–O bond length is 1.48 Å. All P–Br bond lengths are 2.20 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three 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 distorted single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:
Other Number(s):
mp-558645
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; PBr3O; Br-O-P
OSTI Identifier:
1270435
DOI:
https://doi.org/10.17188/1270435

Citation Formats

The Materials Project. Materials Data on PBr3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270435.
The Materials Project. Materials Data on PBr3O by Materials Project. United States. doi:https://doi.org/10.17188/1270435
The Materials Project. 2020. "Materials Data on PBr3O by Materials Project". United States. doi:https://doi.org/10.17188/1270435. https://www.osti.gov/servlets/purl/1270435. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270435,
title = {Materials Data on PBr3O by Materials Project},
author = {The Materials Project},
abstractNote = {POBr3 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P5+ is bonded in a distorted tetrahedral geometry to one O2- and three Br1- atoms. The P–O bond length is 1.48 Å. All P–Br bond lengths are 2.20 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three 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 distorted single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1270435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}