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DOE OSTI · 1750347

Materials Data on Ti4H7 by Materials Project

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Abstract

Ti4H7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ti is bonded in a 7-coordinate geometry to seven H atoms. There are a spread of Ti–H bond distances ranging from 1.90–1.94 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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36 MATERIALS SCIENCEcrystal structureH-TiTi4H7

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2020-05-03. Materials Data on Ti4H7 by Materials Project. https://doi.org/10.17188/1750347

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