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Title: Materials Data on Cs2OsBrClF4 by Materials Project

Abstract

Cs2OsBrClF4 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent Br1-, two equivalent Cl1-, and eight equivalent F1- atoms to form distorted CsBr2Cl2F8 cuboctahedra that share corners with twelve equivalent CsBr2Cl2F8 cuboctahedra, faces with six equivalent CsBr2Cl2F8 cuboctahedra, and faces with four equivalent OsBrClF4 octahedra. Both Cs–Br bond lengths are 3.65 Å. Both Cs–Cl bond lengths are 3.64 Å. All Cs–F bond lengths are 3.43 Å. Os4+ is bonded to one Br1-, one Cl1-, and four equivalent F1- atoms to form distorted OsBrClF4 octahedra that share faces with eight equivalent CsBr2Cl2F8 cuboctahedra. The Os–Br bond length is 2.51 Å. The Os–Cl bond length is 2.35 Å. All Os–F bond lengths are 1.97 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Os4+ atom. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Os4+ atom. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Os4+ atom.

Publication Date:
Other Number(s):
mp-1229109
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; Cs2OsBrClF4; Br-Cl-Cs-F-Os
OSTI Identifier:
1687967
DOI:
https://doi.org/10.17188/1687967

Citation Formats

The Materials Project. Materials Data on Cs2OsBrClF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687967.
The Materials Project. Materials Data on Cs2OsBrClF4 by Materials Project. United States. doi:https://doi.org/10.17188/1687967
The Materials Project. 2020. "Materials Data on Cs2OsBrClF4 by Materials Project". United States. doi:https://doi.org/10.17188/1687967. https://www.osti.gov/servlets/purl/1687967. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687967,
title = {Materials Data on Cs2OsBrClF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2OsBrClF4 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent Br1-, two equivalent Cl1-, and eight equivalent F1- atoms to form distorted CsBr2Cl2F8 cuboctahedra that share corners with twelve equivalent CsBr2Cl2F8 cuboctahedra, faces with six equivalent CsBr2Cl2F8 cuboctahedra, and faces with four equivalent OsBrClF4 octahedra. Both Cs–Br bond lengths are 3.65 Å. Both Cs–Cl bond lengths are 3.64 Å. All Cs–F bond lengths are 3.43 Å. Os4+ is bonded to one Br1-, one Cl1-, and four equivalent F1- atoms to form distorted OsBrClF4 octahedra that share faces with eight equivalent CsBr2Cl2F8 cuboctahedra. The Os–Br bond length is 2.51 Å. The Os–Cl bond length is 2.35 Å. All Os–F bond lengths are 1.97 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Os4+ atom. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Os4+ atom. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Os4+ atom.},
doi = {10.17188/1687967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}