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Title: Materials Data on PHF2 by Materials Project

Abstract

PHF2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four difluorophosphine molecules. P3+ is bonded in a 2-coordinate geometry to one H1- and two F1- atoms. The P–H bond length is 1.43 Å. Both P–F bond lengths are 1.62 Å. H1- is bonded in a single-bond geometry to one P3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P3+ atom.

Publication Date:
Other Number(s):
mp-24064
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; PHF2; F-H-P
OSTI Identifier:
1199887
DOI:
https://doi.org/10.17188/1199887

Citation Formats

The Materials Project. Materials Data on PHF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199887.
The Materials Project. Materials Data on PHF2 by Materials Project. United States. doi:https://doi.org/10.17188/1199887
The Materials Project. 2020. "Materials Data on PHF2 by Materials Project". United States. doi:https://doi.org/10.17188/1199887. https://www.osti.gov/servlets/purl/1199887. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199887,
title = {Materials Data on PHF2 by Materials Project},
author = {The Materials Project},
abstractNote = {PHF2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four difluorophosphine molecules. P3+ is bonded in a 2-coordinate geometry to one H1- and two F1- atoms. The P–H bond length is 1.43 Å. Both P–F bond lengths are 1.62 Å. H1- is bonded in a single-bond geometry to one P3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P3+ atom.},
doi = {10.17188/1199887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}