Materials Data on Ti4H3 by Materials Project
Ti4H3 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three H atoms. There is two shorter (1.86 Å) and one longer (1.92 Å) Ti–H bond length. There are three inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the third H site, H is bonded to four equivalent Ti atoms to form corner-sharing HTi4 tetrahedra.
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