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Title: Materials Data on Co4B6O13 by Materials Project

Abstract

Co4(BO2)6O crystallizes in the cubic I-43m space group. The structure is three-dimensional. Co2+ is bonded to four O2- atoms to form distorted CoO4 trigonal pyramids that share corners with six equivalent BO4 tetrahedra and corners with three equivalent CoO4 trigonal pyramids. There are three shorter (1.99 Å) and one longer (2.01 Å) Co–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent CoO4 trigonal pyramids. All B–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Co2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two equivalent B3+ atoms.

Publication Date:
Other Number(s):
mp-19343
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; Co4B6O13; B-Co-O
OSTI Identifier:
1194349
DOI:
10.17188/1194349

Citation Formats

The Materials Project. Materials Data on Co4B6O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194349.
The Materials Project. Materials Data on Co4B6O13 by Materials Project. United States. doi:10.17188/1194349.
The Materials Project. 2020. "Materials Data on Co4B6O13 by Materials Project". United States. doi:10.17188/1194349. https://www.osti.gov/servlets/purl/1194349. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1194349,
title = {Materials Data on Co4B6O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Co4(BO2)6O crystallizes in the cubic I-43m space group. The structure is three-dimensional. Co2+ is bonded to four O2- atoms to form distorted CoO4 trigonal pyramids that share corners with six equivalent BO4 tetrahedra and corners with three equivalent CoO4 trigonal pyramids. There are three shorter (1.99 Å) and one longer (2.01 Å) Co–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent CoO4 trigonal pyramids. All B–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Co2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two equivalent B3+ atoms.},
doi = {10.17188/1194349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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