U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PH2NF2 by Materials Project
Abstract
PNH2F2 is alpha La structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoramidous difluoride molecules. P5+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.66 Å. There is one shorter (1.62 Å) and one longer (1.66 Å) P–F bond length. N3- is bonded in a 3-coordinate geometry to one P5+ and two H atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N3- atom. In the second H site, H is bonded in a single-bond geometry to one N3- 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.
- Publication Date:
- Other Number(s):
- mp-752833
- 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-N-P; PH2NF2; crystal structure
- OSTI Identifier:
- 1288822
- DOI:
- https://doi.org/10.17188/1288822
Citation Formats
Materials Data on PH2NF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288822.
Materials Data on PH2NF2 by Materials Project. United States. doi:https://doi.org/10.17188/1288822
2020.
"Materials Data on PH2NF2 by Materials Project". United States. doi:https://doi.org/10.17188/1288822. https://www.osti.gov/servlets/purl/1288822. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1288822,
title = {Materials Data on PH2NF2 by Materials Project},
abstractNote = {PNH2F2 is alpha La structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoramidous difluoride molecules. P5+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.66 Å. There is one shorter (1.62 Å) and one longer (1.66 Å) P–F bond length. N3- is bonded in a 3-coordinate geometry to one P5+ and two H atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N3- atom. In the second H site, H is bonded in a single-bond geometry to one N3- 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 = {10.17188/1288822},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}