U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PNF2 by Materials Project
Abstract
PNF2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four PNF2 clusters. there are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. There is one shorter (1.55 Å) and one longer (1.56 Å) P–F bond length. In the second P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–F bond lengths are 1.56 Å. In the third P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–F bond lengths are 1.56 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. There are six inequivalent F1- sites. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560275
- 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; PNF2; F-N-P
- OSTI Identifier:
- 1271368
- DOI:
- https://doi.org/10.17188/1271368
Citation Formats
The Materials Project. Materials Data on PNF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271368.
The Materials Project. Materials Data on PNF2 by Materials Project. United States. doi:https://doi.org/10.17188/1271368
The Materials Project. 2020.
"Materials Data on PNF2 by Materials Project". United States. doi:https://doi.org/10.17188/1271368. https://www.osti.gov/servlets/purl/1271368. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1271368,
title = {Materials Data on PNF2 by Materials Project},
author = {The Materials Project},
abstractNote = {PNF2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four PNF2 clusters. there are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. There is one shorter (1.55 Å) and one longer (1.56 Å) P–F bond length. In the second P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–F bond lengths are 1.56 Å. In the third P5+ site, P5+ is bonded to two N3- and two F1- atoms to form corner-sharing PN2F2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–F bond lengths are 1.56 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two P5+ atoms. There are six 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. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1271368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}