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Title: Materials Data on P2O2F3 by Materials Project

Abstract

P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom.

Publication Date:
Other Number(s):
mp-565711
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; P2O2F3; F-O-P
OSTI Identifier:
1273137
DOI:
10.17188/1273137

Citation Formats

The Materials Project. Materials Data on P2O2F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273137.
The Materials Project. Materials Data on P2O2F3 by Materials Project. United States. doi:10.17188/1273137.
The Materials Project. 2020. "Materials Data on P2O2F3 by Materials Project". United States. doi:10.17188/1273137. https://www.osti.gov/servlets/purl/1273137. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1273137,
title = {Materials Data on P2O2F3 by Materials Project},
author = {The Materials Project},
abstractNote = {P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom.},
doi = {10.17188/1273137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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