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Title: Materials Data on SbH5(Cl3O)2 by Materials Project

Abstract

SbCl6H5O2 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two molecular hydrogen;dihydrate molecules and two SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-757924
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; SbH5(Cl3O)2; Cl-H-O-Sb
OSTI Identifier:
1290941
DOI:
10.17188/1290941

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbH5(Cl3O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290941.
Persson, Kristin, & Project, Materials. Materials Data on SbH5(Cl3O)2 by Materials Project. United States. doi:10.17188/1290941.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbH5(Cl3O)2 by Materials Project". United States. doi:10.17188/1290941. https://www.osti.gov/servlets/purl/1290941. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290941,
title = {Materials Data on SbH5(Cl3O)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SbCl6H5O2 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two molecular hydrogen;dihydrate molecules and two SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1290941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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