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Title: Materials Data on PNCl2 by Materials Project

Abstract

PNCl2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two akos000271203 molecules. P5+ is bonded to two equivalent N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:
Other Number(s):
mp-571213
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; PNCl2; Cl-N-P
OSTI Identifier:
1276143
DOI:
10.17188/1276143

Citation Formats

The Materials Project. Materials Data on PNCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276143.
The Materials Project. Materials Data on PNCl2 by Materials Project. United States. doi:10.17188/1276143.
The Materials Project. 2020. "Materials Data on PNCl2 by Materials Project". United States. doi:10.17188/1276143. https://www.osti.gov/servlets/purl/1276143. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1276143,
title = {Materials Data on PNCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {PNCl2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two akos000271203 molecules. P5+ is bonded to two equivalent N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1276143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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