Materials Data on Ti2H3 by Materials Project
Ti2H3 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to six H atoms. There is four shorter (1.89 Å) and two longer (1.95 Å) Ti–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of edge and corner-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of edge and corner-sharing HTi4 tetrahedra.
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