U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PCF3 by Materials Project
Abstract
F3CP crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of eight schembl16016218 molecules. C2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one F1- atom. The C–P bond length is 1.81 Å. The C–F bond length is 1.32 Å. P5+ is bonded in a 3-coordinate geometry to one C2- and two equivalent F1- atoms. Both P–F bond lengths are 1.61 Å. 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 C2- atom.
- Publication Date:
- Other Number(s):
- mp-540785
- 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; C-F-P; PCF3; crystal structure
- OSTI Identifier:
- 1264772
- DOI:
- https://doi.org/10.17188/1264772
Citation Formats
Materials Data on PCF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264772.
Materials Data on PCF3 by Materials Project. United States. doi:https://doi.org/10.17188/1264772
2020.
"Materials Data on PCF3 by Materials Project". United States. doi:https://doi.org/10.17188/1264772. https://www.osti.gov/servlets/purl/1264772. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1264772,
title = {Materials Data on PCF3 by Materials Project},
abstractNote = {F3CP crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of eight schembl16016218 molecules. C2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one F1- atom. The C–P bond length is 1.81 Å. The C–F bond length is 1.32 Å. P5+ is bonded in a 3-coordinate geometry to one C2- and two equivalent F1- atoms. Both P–F bond lengths are 1.61 Å. 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 C2- atom.},
doi = {10.17188/1264772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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