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Title: Materials Data on PHN2 by Materials Project

Abstract

PN2H crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is two shorter (1.60 Å) and two longer (1.68 Å) P–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent P5+ and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697139
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PHN2; H-N-P
OSTI Identifier:
1285123
DOI:
10.17188/1285123

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PHN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285123.
Persson, Kristin, & Project, Materials. Materials Data on PHN2 by Materials Project. United States. doi:10.17188/1285123.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PHN2 by Materials Project". United States. doi:10.17188/1285123. https://www.osti.gov/servlets/purl/1285123. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1285123,
title = {Materials Data on PHN2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PN2H crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is two shorter (1.60 Å) and two longer (1.68 Å) P–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent P5+ and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1285123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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