Materials Data on PHOF2 by Materials Project
Abstract
PHOF2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight phosphine oxide, difluoro- molecules. P5+ is bonded in a distorted tetrahedral geometry to one H1-, one O2-, and two F1- atoms. The P–H bond length is 1.40 Å. The P–O bond length is 1.47 Å. Both P–F bond lengths are 1.57 Å. H1- is bonded in a single-bond geometry to one P5+ atom. O2- 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:
- Publication Date:
- Other Number(s):
- mp-698060
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PHOF2; F-H-O-P
- OSTI Identifier:
- 1285280
- DOI:
- https://doi.org/10.17188/1285280
Citation Formats
The Materials Project. Materials Data on PHOF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285280.
The Materials Project. Materials Data on PHOF2 by Materials Project. United States. doi:https://doi.org/10.17188/1285280
The Materials Project. 2020.
"Materials Data on PHOF2 by Materials Project". United States. doi:https://doi.org/10.17188/1285280. https://www.osti.gov/servlets/purl/1285280. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1285280,
title = {Materials Data on PHOF2 by Materials Project},
author = {The Materials Project},
abstractNote = {PHOF2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight phosphine oxide, difluoro- molecules. P5+ is bonded in a distorted tetrahedral geometry to one H1-, one O2-, and two F1- atoms. The P–H bond length is 1.40 Å. The P–O bond length is 1.47 Å. Both P–F bond lengths are 1.57 Å. H1- is bonded in a single-bond geometry to one P5+ atom. O2- 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 = {10.17188/1285280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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