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Title: Materials Data on SbPC3Cl5O by Materials Project

Abstract

C3ClSbPOCl4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four allyl chloride molecules and four SbPOCl4 clusters. In each SbPOCl4 cluster, Sb2- is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Sb–O bond length is 2.09 Å. There are a spread of Sb–Cl bond distances ranging from 2.32–2.41 Å. P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.60 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Sb2- and one P5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1179632
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; SbPC3Cl5O; C-Cl-O-P-Sb
OSTI Identifier:
1758458
DOI:
https://doi.org/10.17188/1758458

Citation Formats

The Materials Project. Materials Data on SbPC3Cl5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758458.
The Materials Project. Materials Data on SbPC3Cl5O by Materials Project. United States. doi:https://doi.org/10.17188/1758458
The Materials Project. 2020. "Materials Data on SbPC3Cl5O by Materials Project". United States. doi:https://doi.org/10.17188/1758458. https://www.osti.gov/servlets/purl/1758458. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758458,
title = {Materials Data on SbPC3Cl5O by Materials Project},
author = {The Materials Project},
abstractNote = {C3ClSbPOCl4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four allyl chloride molecules and four SbPOCl4 clusters. In each SbPOCl4 cluster, Sb2- is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Sb–O bond length is 2.09 Å. There are a spread of Sb–Cl bond distances ranging from 2.32–2.41 Å. P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.60 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Sb2- and one P5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb2- atom.},
doi = {10.17188/1758458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}