U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PH2F3 by Materials Project
Abstract
PH2F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four phosphorus trifluoride molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent H1- and three F1- atoms. Both P–H bond lengths are 1.40 Å. There are a spread of P–F bond distances ranging from 1.58–1.67 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are three 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.
- Publication Date:
- Other Number(s):
- mp-29515
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-H-P; PH2F3; crystal structure
- OSTI Identifier:
- 1203985
- DOI:
- https://doi.org/10.17188/1203985
Citation Formats
Materials Data on PH2F3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203985.
Materials Data on PH2F3 by Materials Project. United States. doi:https://doi.org/10.17188/1203985
2020.
"Materials Data on PH2F3 by Materials Project". United States. doi:https://doi.org/10.17188/1203985. https://www.osti.gov/servlets/purl/1203985. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1203985,
title = {Materials Data on PH2F3 by Materials Project},
abstractNote = {PH2F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four phosphorus trifluoride molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent H1- and three F1- atoms. Both P–H bond lengths are 1.40 Å. There are a spread of P–F bond distances ranging from 1.58–1.67 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are three 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.},
doi = {10.17188/1203985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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