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Title: Materials Data on TiGa5Co by Materials Project

Abstract

TiCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Ga atoms to form TiGa12 cuboctahedra that share corners with four equivalent TiGa12 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra. There are eight shorter (2.82 Å) and four longer (2.89 Å) Ti–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ti, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.89 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight equivalent Ga atoms to form GaTi4Ga8 cuboctahedra that share corners with four equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1025229
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; TiGa5Co; Co-Ga-Ti
OSTI Identifier:
1355635
DOI:
https://doi.org/10.17188/1355635

Citation Formats

The Materials Project. Materials Data on TiGa5Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355635.
The Materials Project. Materials Data on TiGa5Co by Materials Project. United States. doi:https://doi.org/10.17188/1355635
The Materials Project. 2020. "Materials Data on TiGa5Co by Materials Project". United States. doi:https://doi.org/10.17188/1355635. https://www.osti.gov/servlets/purl/1355635. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1355635,
title = {Materials Data on TiGa5Co by Materials Project},
author = {The Materials Project},
abstractNote = {TiCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Ga atoms to form TiGa12 cuboctahedra that share corners with four equivalent TiGa12 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra. There are eight shorter (2.82 Å) and four longer (2.89 Å) Ti–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ti, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.89 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight equivalent Ga atoms to form GaTi4Ga8 cuboctahedra that share corners with four equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra.},
doi = {10.17188/1355635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}