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Title: Materials Data on Tb4CoB13 by Materials Project

Abstract

Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb+3.25+ is bonded in a 6-coordinate geometry to one Co2+ and fifteen B+1.15- atoms. The Tb–Co bond length is 2.70 Å. There are a spread of Tb–B bond distances ranging from 2.59–2.92 Å. Co2+ is bonded in a 12-coordinate geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Tb+3.25+, one Co2+, and four B+1.15- atoms. There is three shorter (1.80 Å) and one longer (2.13 Å) B–B bond length. In the second B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. In the third B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Tb+3.25+ and three B+1.15- atoms. The B–B bond length is 1.89 Å.

Publication Date:
Other Number(s):
mp-22573
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; Tb4CoB13; B-Co-Tb
OSTI Identifier:
1198796
DOI:
10.17188/1198796

Citation Formats

The Materials Project. Materials Data on Tb4CoB13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198796.
The Materials Project. Materials Data on Tb4CoB13 by Materials Project. United States. doi:10.17188/1198796.
The Materials Project. 2020. "Materials Data on Tb4CoB13 by Materials Project". United States. doi:10.17188/1198796. https://www.osti.gov/servlets/purl/1198796. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1198796,
title = {Materials Data on Tb4CoB13 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb+3.25+ is bonded in a 6-coordinate geometry to one Co2+ and fifteen B+1.15- atoms. The Tb–Co bond length is 2.70 Å. There are a spread of Tb–B bond distances ranging from 2.59–2.92 Å. Co2+ is bonded in a 12-coordinate geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Tb+3.25+, one Co2+, and four B+1.15- atoms. There is three shorter (1.80 Å) and one longer (2.13 Å) B–B bond length. In the second B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. In the third B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Tb+3.25+ and three B+1.15- atoms. The B–B bond length is 1.89 Å.},
doi = {10.17188/1198796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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