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Title: Materials Data on Cs2SeClF6 by Materials Project

Abstract

(Cs2SeF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2SeF6 framework. In the Cs2SeF6 framework, Cs is bonded to twelve equivalent F atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent SeF6 octahedra. All Cs–F bond lengths are 3.49 Å. Se is bonded to six equivalent F atoms to form SeF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Se–F bond lengths are 1.92 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Se atom.

Publication Date:
Other Number(s):
mp-989544
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; Cs2SeClF6; Cl-Cs-F-Se
OSTI Identifier:
1316843
DOI:
https://doi.org/10.17188/1316843

Citation Formats

The Materials Project. Materials Data on Cs2SeClF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316843.
The Materials Project. Materials Data on Cs2SeClF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316843
The Materials Project. 2020. "Materials Data on Cs2SeClF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316843. https://www.osti.gov/servlets/purl/1316843. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316843,
title = {Materials Data on Cs2SeClF6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs2SeF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2SeF6 framework. In the Cs2SeF6 framework, Cs is bonded to twelve equivalent F atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent SeF6 octahedra. All Cs–F bond lengths are 3.49 Å. Se is bonded to six equivalent F atoms to form SeF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Se–F bond lengths are 1.92 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Se atom.},
doi = {10.17188/1316843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}