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Title: Materials Data on PCl3O by Materials Project

Abstract

POCl3 is Iron carbide-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxychloride molecules. P5+ is bonded in a tetrahedral geometry to one O2- and three Cl1- atoms. The P–O bond length is 1.47 Å. All P–Cl bond lengths are 2.01 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-753611
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; PCl3O; Cl-O-P
OSTI Identifier:
1289072
DOI:
https://doi.org/10.17188/1289072

Citation Formats

The Materials Project. Materials Data on PCl3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289072.
The Materials Project. Materials Data on PCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1289072
The Materials Project. 2020. "Materials Data on PCl3O by Materials Project". United States. doi:https://doi.org/10.17188/1289072. https://www.osti.gov/servlets/purl/1289072. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289072,
title = {Materials Data on PCl3O by Materials Project},
author = {The Materials Project},
abstractNote = {POCl3 is Iron carbide-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxychloride molecules. P5+ is bonded in a tetrahedral geometry to one O2- and three Cl1- atoms. The P–O bond length is 1.47 Å. All P–Cl bond lengths are 2.01 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1289072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}