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Title: Materials Data on Rb2CoCl4 by Materials Project

Abstract

Rb2CoCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.75 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.84 Å. Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Co–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Co2+ atom.

Publication Date:
Other Number(s):
mp-23076
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; Rb2CoCl4; Cl-Co-Rb
OSTI Identifier:
1199217
DOI:
https://doi.org/10.17188/1199217

Citation Formats

The Materials Project. Materials Data on Rb2CoCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199217.
The Materials Project. Materials Data on Rb2CoCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1199217
The Materials Project. 2020. "Materials Data on Rb2CoCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1199217. https://www.osti.gov/servlets/purl/1199217. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1199217,
title = {Materials Data on Rb2CoCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2CoCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.75 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.84 Å. Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Co–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Co2+ atom.},
doi = {10.17188/1199217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}