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Title: Materials Data on PHF4 by Materials Project

Abstract

HPF4 is Magnesium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrafluorophosphanium molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to one H1- and four F1- atoms. The P–H bond length is 1.40 Å. There are a spread of P–F bond distances ranging from 1.56–1.64 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:
Other Number(s):
mp-29514
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; PHF4; F-H-P
OSTI Identifier:
1203984
DOI:
https://doi.org/10.17188/1203984

Citation Formats

The Materials Project. Materials Data on PHF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203984.
The Materials Project. Materials Data on PHF4 by Materials Project. United States. doi:https://doi.org/10.17188/1203984
The Materials Project. 2020. "Materials Data on PHF4 by Materials Project". United States. doi:https://doi.org/10.17188/1203984. https://www.osti.gov/servlets/purl/1203984. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203984,
title = {Materials Data on PHF4 by Materials Project},
author = {The Materials Project},
abstractNote = {HPF4 is Magnesium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrafluorophosphanium molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to one H1- and four F1- atoms. The P–H bond length is 1.40 Å. There are a spread of P–F bond distances ranging from 1.56–1.64 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1203984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}