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Title: Materials Data on RbCoO2 by Materials Project

Abstract

RbCoO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.20 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.81–1.96 Å. In the second Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.79–1.95 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and twomore » equivalent Co3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Co3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-704992
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; RbCoO2; Co-O-Rb
OSTI Identifier:
1285801
DOI:
10.17188/1285801

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbCoO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285801.
Persson, Kristin, & Project, Materials. Materials Data on RbCoO2 by Materials Project. United States. doi:10.17188/1285801.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbCoO2 by Materials Project". United States. doi:10.17188/1285801. https://www.osti.gov/servlets/purl/1285801. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1285801,
title = {Materials Data on RbCoO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbCoO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.20 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.81–1.96 Å. In the second Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.79–1.95 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Co3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Co3+ atoms.},
doi = {10.17188/1285801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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