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Title: Materials Data on Ti3Ga by Materials Project

Abstract

Ti3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ga atoms to form TiTi8Ga4 cuboctahedra that share corners with four equivalent GaTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ga4 cuboctahedra, edges with six equivalent GaTi12 cuboctahedra, edges with twelve equivalent TiTi8Ga4 cuboctahedra, faces with four equivalent GaTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ga4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.90 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Ti–Ga bond lengths. Ga is bonded to twelve equivalent Ti atoms to form GaTi12 cuboctahedra that share corners with six equivalent GaTi12 cuboctahedra, corners with twelve equivalent TiTi8Ga4 cuboctahedra, edges with eighteen equivalent TiTi8Ga4 cuboctahedra, faces with eight equivalent GaTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ga4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-30672
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; Ti3Ga; Ga-Ti
OSTI Identifier:
1205044
DOI:
https://doi.org/10.17188/1205044

Citation Formats

The Materials Project. Materials Data on Ti3Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205044.
The Materials Project. Materials Data on Ti3Ga by Materials Project. United States. doi:https://doi.org/10.17188/1205044
The Materials Project. 2020. "Materials Data on Ti3Ga by Materials Project". United States. doi:https://doi.org/10.17188/1205044. https://www.osti.gov/servlets/purl/1205044. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205044,
title = {Materials Data on Ti3Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ga atoms to form TiTi8Ga4 cuboctahedra that share corners with four equivalent GaTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ga4 cuboctahedra, edges with six equivalent GaTi12 cuboctahedra, edges with twelve equivalent TiTi8Ga4 cuboctahedra, faces with four equivalent GaTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ga4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.90 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Ti–Ga bond lengths. Ga is bonded to twelve equivalent Ti atoms to form GaTi12 cuboctahedra that share corners with six equivalent GaTi12 cuboctahedra, corners with twelve equivalent TiTi8Ga4 cuboctahedra, edges with eighteen equivalent TiTi8Ga4 cuboctahedra, faces with eight equivalent GaTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ga4 cuboctahedra.},
doi = {10.17188/1205044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}