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Title: Materials Data on PO3 by Materials Project

Abstract

PO3 is Copper structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four unii-3le9np06e7 molecules. there are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a single-bond geometry to one P atom.

Authors:
Publication Date:
Other Number(s):
mp-1209592
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; PO3; O-P
OSTI Identifier:
1719684
DOI:
https://doi.org/10.17188/1719684

Citation Formats

The Materials Project. Materials Data on PO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719684.
The Materials Project. Materials Data on PO3 by Materials Project. United States. doi:https://doi.org/10.17188/1719684
The Materials Project. 2020. "Materials Data on PO3 by Materials Project". United States. doi:https://doi.org/10.17188/1719684. https://www.osti.gov/servlets/purl/1719684. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719684,
title = {Materials Data on PO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PO3 is Copper structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four unii-3le9np06e7 molecules. there are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a single-bond geometry to one P atom.},
doi = {10.17188/1719684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}