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:
- Publication Date:
- Other Number(s):
- mp-368
- 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; P2O3; O-P
- OSTI Identifier:
- 1207231
- DOI:
- https://doi.org/10.17188/1207231
Citation Formats
The Materials Project. Materials Data on P2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207231.
The Materials Project. Materials Data on P2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1207231
The Materials Project. 2020.
"Materials Data on P2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1207231. https://www.osti.gov/servlets/purl/1207231. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207231,
title = {Materials Data on P2O3 by Materials Project},
author = {The Materials Project},
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 = {5}
}