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Title: Materials Data on P2O5 by Materials Project

Abstract

P2O5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to six O2- atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. There are a spread of P–O bond distances ranging from 1.55–1.84 Å. In the second P5+ site, P5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. There is two shorter (1.63 Å) and four longer (1.91 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three P5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three P5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-990076
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; P2O5; O-P
OSTI Identifier:
1316950
DOI:
https://doi.org/10.17188/1316950

Citation Formats

The Materials Project. Materials Data on P2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316950.
The Materials Project. Materials Data on P2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1316950
The Materials Project. 2020. "Materials Data on P2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1316950. https://www.osti.gov/servlets/purl/1316950. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316950,
title = {Materials Data on P2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {P2O5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to six O2- atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. There are a spread of P–O bond distances ranging from 1.55–1.84 Å. In the second P5+ site, P5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PO6 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. There is two shorter (1.63 Å) and four longer (1.91 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three P5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three P5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.},
doi = {10.17188/1316950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}