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Title: Materials Data on In3(Co10B3)2 by Materials Project

Abstract

In3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to one In and three equivalent B atoms. The Co–In bond length is 2.53 Å. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three In and two equivalent B atoms. There are one shorter (2.60 Å) and two longer (2.92 Å) Co–In bond lengths. Both Co–B bond lengths are 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve equivalent Co atoms to form face-sharing InCo12 cuboctahedra. In the second In site, In is bonded to sixteen Co atoms to form distorted InCo16 tetrahedra that share edges with six equivalent InCo16 tetrahedra and faces with four equivalent InCo12 cuboctahedra. B is bonded in a 8-coordinate geometry to eight Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-1193971
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In3(Co10B3)2; B-Co-In
OSTI Identifier:
1698641
DOI:
https://doi.org/10.17188/1698641

Citation Formats

The Materials Project. Materials Data on In3(Co10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698641.
The Materials Project. Materials Data on In3(Co10B3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1698641
The Materials Project. 2020. "Materials Data on In3(Co10B3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1698641. https://www.osti.gov/servlets/purl/1698641. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698641,
title = {Materials Data on In3(Co10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {In3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to one In and three equivalent B atoms. The Co–In bond length is 2.53 Å. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three In and two equivalent B atoms. There are one shorter (2.60 Å) and two longer (2.92 Å) Co–In bond lengths. Both Co–B bond lengths are 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve equivalent Co atoms to form face-sharing InCo12 cuboctahedra. In the second In site, In is bonded to sixteen Co atoms to form distorted InCo16 tetrahedra that share edges with six equivalent InCo16 tetrahedra and faces with four equivalent InCo12 cuboctahedra. B is bonded in a 8-coordinate geometry to eight Co atoms.},
doi = {10.17188/1698641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}