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Title: Materials Data on P2O3 by Materials Project

Abstract

P2O3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two tetraphosphorus hexaoxide molecules. there are three inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.66 Å) and two longer (1.67 Å) P–O bond length. In the second P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.67 Å. In the third P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-368
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; P2O3; O-P
OSTI Identifier:
1207231
DOI:
10.17188/1207231

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on P2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207231.
Persson, Kristin, & Project, Materials. Materials Data on P2O3 by Materials Project. United States. doi:10.17188/1207231.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on P2O3 by Materials Project". United States. doi:10.17188/1207231. https://www.osti.gov/servlets/purl/1207231. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1207231,
title = {Materials Data on P2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {P2O3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two tetraphosphorus hexaoxide molecules. there are three inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.66 Å) and two longer (1.67 Å) P–O bond length. In the second P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.67 Å. In the third P3+ site, P3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P3+ atoms.},
doi = {10.17188/1207231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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