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Title: Materials Data on Ti3Ga by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281800· OSTI ID:1281800

Ti3Ga is Hg_xSn-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti is bonded to six equivalent Ti and two equivalent Ga atoms to form TiTi6Ga2 hexagonal bipyramids that share corners with eight equivalent TiTi6Ga2 hexagonal bipyramids, edges with eight equivalent GaTi6Ga2 hexagonal bipyramids, and edges with sixteen equivalent TiTi6Ga2 hexagonal bipyramids. There are four shorter (2.74 Å) and two longer (2.75 Å) Ti–Ti bond lengths. Both Ti–Ga bond lengths are 2.74 Å. Ga is bonded to six equivalent Ti and two equivalent Ga atoms to form GaTi6Ga2 hexagonal bipyramids that share corners with eight equivalent GaTi6Ga2 hexagonal bipyramids and edges with twenty-four equivalent TiTi6Ga2 hexagonal bipyramids. Both Ga–Ga bond lengths are 2.75 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1281800
Report Number(s):
mp-672250
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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