Materials Data on Ti4H5 by Materials Project
Ti4H5 is Matlockite-derived structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Ti–H bond distances ranging from 1.87–1.93 Å. 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 a mixture of corner and edge-sharing HTi4 tetrahedra.
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