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Title: Materials Data on Cs4Os2Cl10O by Materials Project

Abstract

Cs4Os2OCl10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.56–3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.51–3.69 Å. Os4+ is bonded to one O2- and five Cl1- atoms to form corner-sharing OsCl5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Os–O bond length is 1.82 Å. There are a spread of Os–Cl bond distances ranging from 2.37–2.41 Å. O2- is bonded in a linear geometry to two equivalent Os4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Os4+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom. In the fourth Cl1- site, Cl1- is bonded in amore » 1-coordinate geometry to three Cs1+ and one Os4+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1202549
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; Cs4Os2Cl10O; Cl-Cs-O-Os
OSTI Identifier:
1698579
DOI:
https://doi.org/10.17188/1698579

Citation Formats

The Materials Project. Materials Data on Cs4Os2Cl10O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698579.
The Materials Project. Materials Data on Cs4Os2Cl10O by Materials Project. United States. doi:https://doi.org/10.17188/1698579
The Materials Project. 2020. "Materials Data on Cs4Os2Cl10O by Materials Project". United States. doi:https://doi.org/10.17188/1698579. https://www.osti.gov/servlets/purl/1698579. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698579,
title = {Materials Data on Cs4Os2Cl10O by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4Os2OCl10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.56–3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.51–3.69 Å. Os4+ is bonded to one O2- and five Cl1- atoms to form corner-sharing OsCl5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Os–O bond length is 1.82 Å. There are a spread of Os–Cl bond distances ranging from 2.37–2.41 Å. O2- is bonded in a linear geometry to two equivalent Os4+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Os4+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Os4+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Os4+ atom.},
doi = {10.17188/1698579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}