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Title: Materials Data on Co21(SnB3)2 by Materials Project

Abstract

Co21(B3Sn)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Co–B bond lengths are 2.07 Å. The Co–Sn bond length is 2.48 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.11 Å. B is bonded in a 8-coordinate geometry to eight Co atoms. Sn is bonded in a distorted tetrahedral geometry to four equivalent Co atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542739
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; Co21(SnB3)2; B-Co-Sn
OSTI Identifier:
1266656
DOI:
10.17188/1266656

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Co21(SnB3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266656.
Persson, Kristin, & Project, Materials. Materials Data on Co21(SnB3)2 by Materials Project. United States. doi:10.17188/1266656.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Co21(SnB3)2 by Materials Project". United States. doi:10.17188/1266656. https://www.osti.gov/servlets/purl/1266656. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1266656,
title = {Materials Data on Co21(SnB3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Co21(B3Sn)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Co–B bond lengths are 2.07 Å. The Co–Sn bond length is 2.48 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.11 Å. B is bonded in a 8-coordinate geometry to eight Co atoms. Sn is bonded in a distorted tetrahedral geometry to four equivalent Co atoms.},
doi = {10.17188/1266656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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