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Title: Materials Data on PHSF2 by Materials Project

Abstract

PHSF2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 25758-61-6 molecules. P5+ is bonded in a 4-coordinate geometry to one H1-, one S2-, and two F1- atoms. The P–H bond length is 1.41 Å. The P–S bond length is 1.89 Å. Both P–F bond lengths are 1.58 Å. H1- is bonded in a single-bond geometry to one P5+ atom. S2- is bonded in a single-bond geometry to one P5+ atom. There are two 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642795
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; PHSF2; F-H-P-S
OSTI Identifier:
1280165
DOI:
10.17188/1280165

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PHSF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280165.
Persson, Kristin, & Project, Materials. Materials Data on PHSF2 by Materials Project. United States. doi:10.17188/1280165.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PHSF2 by Materials Project". United States. doi:10.17188/1280165. https://www.osti.gov/servlets/purl/1280165. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280165,
title = {Materials Data on PHSF2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PHSF2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 25758-61-6 molecules. P5+ is bonded in a 4-coordinate geometry to one H1-, one S2-, and two F1- atoms. The P–H bond length is 1.41 Å. The P–S bond length is 1.89 Å. Both P–F bond lengths are 1.58 Å. H1- is bonded in a single-bond geometry to one P5+ atom. S2- is bonded in a single-bond geometry to one P5+ atom. There are two 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.},
doi = {10.17188/1280165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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