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Title: Materials Data on K2SBrCl6 by Materials Project

Abstract

K2SCl6Br crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one K2SCl6 framework. In the K2SCl6 framework, K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All K–Cl bond lengths are 3.76 Å. S1- is bonded to six equivalent Cl1- atoms to form SCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All S–Cl bond lengths are 2.33 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S1- atom.

Publication Date:
Other Number(s):
mp-989587
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; K2SBrCl6; Br-Cl-K-S
OSTI Identifier:
1316885
DOI:
https://doi.org/10.17188/1316885

Citation Formats

The Materials Project. Materials Data on K2SBrCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316885.
The Materials Project. Materials Data on K2SBrCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1316885
The Materials Project. 2020. "Materials Data on K2SBrCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1316885. https://www.osti.gov/servlets/purl/1316885. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316885,
title = {Materials Data on K2SBrCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SCl6Br crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one K2SCl6 framework. In the K2SCl6 framework, K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All K–Cl bond lengths are 3.76 Å. S1- is bonded to six equivalent Cl1- atoms to form SCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All S–Cl bond lengths are 2.33 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S1- atom.},
doi = {10.17188/1316885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}