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Title: Materials Data on Ti2Ga by Materials Project

Abstract

Ti2Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to six equivalent Ti and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing TiTi6Ga5 trigonal bipyramids. All Ti–Ti bond lengths are 2.95 Å. There are three shorter (2.62 Å) and two longer (2.73 Å) Ti–Ga bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.73 Å. All Ti–Ga bond lengths are 2.95 Å. Ga is bonded in a 5-coordinate geometry to eleven Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-30671
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; Ti2Ga; Ga-Ti
OSTI Identifier:
1205043
DOI:
https://doi.org/10.17188/1205043

Citation Formats

The Materials Project. Materials Data on Ti2Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205043.
The Materials Project. Materials Data on Ti2Ga by Materials Project. United States. doi:https://doi.org/10.17188/1205043
The Materials Project. 2020. "Materials Data on Ti2Ga by Materials Project". United States. doi:https://doi.org/10.17188/1205043. https://www.osti.gov/servlets/purl/1205043. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205043,
title = {Materials Data on Ti2Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to six equivalent Ti and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing TiTi6Ga5 trigonal bipyramids. All Ti–Ti bond lengths are 2.95 Å. There are three shorter (2.62 Å) and two longer (2.73 Å) Ti–Ga bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.73 Å. All Ti–Ga bond lengths are 2.95 Å. Ga is bonded in a 5-coordinate geometry to eleven Ti atoms.},
doi = {10.17188/1205043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}