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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-752833
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; PH2NF2; F-H-N-P
OSTI Identifier:
1288822
DOI:
https://doi.org/10.17188/1288822

Citation Formats

The Materials Project. Materials Data on PH2NF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288822.
The Materials Project. Materials Data on PH2NF2 by Materials Project. United States. doi:https://doi.org/10.17188/1288822
The Materials Project. 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},
author = {The 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 = {2020},
month = {7}
}