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Title: Materials Data on RbCoCl3O2 by Materials Project

Abstract

RbCoO2Cl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb is bonded in a distorted q6 geometry to two equivalent O and eight Cl atoms. Both Rb–O bond lengths are 3.23 Å. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. Co is bonded to two equivalent O and four Cl atoms to form distorted corner-sharing CoCl4O2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Co–O bond lengths are 1.67 Å. There are two shorter (2.31 Å) and two longer (2.43 Å) Co–Cl bond lengths. O is bonded in a single-bond geometry to one Rb and one Co atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted see-saw-like geometry to two equivalent Rb and two equivalent Co atoms. In the second Cl site, Cl is bonded in a 1-coordinate geometry to three equivalent Rb and one Co atom.

Publication Date:
Other Number(s):
mp-1104978
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; RbCoCl3O2; Cl-Co-O-Rb
OSTI Identifier:
1752836
DOI:
https://doi.org/10.17188/1752836

Citation Formats

The Materials Project. Materials Data on RbCoCl3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752836.
The Materials Project. Materials Data on RbCoCl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1752836
The Materials Project. 2020. "Materials Data on RbCoCl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1752836. https://www.osti.gov/servlets/purl/1752836. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752836,
title = {Materials Data on RbCoCl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCoO2Cl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb is bonded in a distorted q6 geometry to two equivalent O and eight Cl atoms. Both Rb–O bond lengths are 3.23 Å. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. Co is bonded to two equivalent O and four Cl atoms to form distorted corner-sharing CoCl4O2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Co–O bond lengths are 1.67 Å. There are two shorter (2.31 Å) and two longer (2.43 Å) Co–Cl bond lengths. O is bonded in a single-bond geometry to one Rb and one Co atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted see-saw-like geometry to two equivalent Rb and two equivalent Co atoms. In the second Cl site, Cl is bonded in a 1-coordinate geometry to three equivalent Rb and one Co atom.},
doi = {10.17188/1752836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}