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Title: Materials Data on Ti3(Co10B3)2 by Materials Project

Abstract

Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-1193476
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; Ti3(Co10B3)2; B-Co-Ti
OSTI Identifier:
1747862
DOI:
https://doi.org/10.17188/1747862

Citation Formats

The Materials Project. Materials Data on Ti3(Co10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747862.
The Materials Project. Materials Data on Ti3(Co10B3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1747862
The Materials Project. 2020. "Materials Data on Ti3(Co10B3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1747862. https://www.osti.gov/servlets/purl/1747862. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1747862,
title = {Materials Data on Ti3(Co10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},
doi = {10.17188/1747862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}