skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2RhCl5O by Materials Project

Abstract

Cs2RhOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.76 Å. There are a spread of Cs–Cl bond distances ranging from 3.55–3.93 Å. In the second Cs site, Cs is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.81 Å. Rh is bonded in an octahedral geometry to one O and five Cl atoms. The Rh–O bond length is 1.79 Å. There are four shorter (2.38 Å) and one longer (2.42 Å) Rh–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Rh atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Rh atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four Cs and one Rh atom.

Publication Date:
Other Number(s):
mp-1105996
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; Cs2RhCl5O; Cl-Cs-O-Rh
OSTI Identifier:
1665579
DOI:
https://doi.org/10.17188/1665579

Citation Formats

The Materials Project. Materials Data on Cs2RhCl5O by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1665579.
The Materials Project. Materials Data on Cs2RhCl5O by Materials Project. United States. doi:https://doi.org/10.17188/1665579
The Materials Project. 2018. "Materials Data on Cs2RhCl5O by Materials Project". United States. doi:https://doi.org/10.17188/1665579. https://www.osti.gov/servlets/purl/1665579. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1665579,
title = {Materials Data on Cs2RhCl5O by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2RhOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.76 Å. There are a spread of Cs–Cl bond distances ranging from 3.55–3.93 Å. In the second Cs site, Cs is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.81 Å. Rh is bonded in an octahedral geometry to one O and five Cl atoms. The Rh–O bond length is 1.79 Å. There are four shorter (2.38 Å) and one longer (2.42 Å) Rh–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Rh atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Rh atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four Cs and one Rh atom.},
doi = {10.17188/1665579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}