Materials Data on P2HNF4 by Materials Project
Abstract
P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-758989
- 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; P2HNF4; F-H-N-P
- OSTI Identifier:
- 1291322
- DOI:
- https://doi.org/10.17188/1291322
Citation Formats
The Materials Project. Materials Data on P2HNF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291322.
The Materials Project. Materials Data on P2HNF4 by Materials Project. United States. doi:https://doi.org/10.17188/1291322
The Materials Project. 2020.
"Materials Data on P2HNF4 by Materials Project". United States. doi:https://doi.org/10.17188/1291322. https://www.osti.gov/servlets/purl/1291322. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1291322,
title = {Materials Data on P2HNF4 by Materials Project},
author = {The Materials Project},
abstractNote = {P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P4+ atom.},
doi = {10.17188/1291322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}