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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti2Ga by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Ga by Materials Project

Ti2Ga is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.70 Å. All Ti–Ga bond lengths are 2.70 Å. In the second Ti site, Ti is bonded in a distorted q6 geometry to four equivalent Ti and six equivalent Ga atoms. All Ti–Ga bond lengths are 3.12 Å. Ga is bonded in a 4-coordinate geometry to ten Ti atoms.

36 MATERIALS SCIENCE↗