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DOE OSTI · 1280452

Materials Data on Ti3SnH by Materials Project

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Abstract

Ti3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Ti–Sn bond lengths are 2.95 Å. Both Ti–H bond lengths are 2.09 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12 cuboctahedra, faces with six equivalent SnTi12 cuboctahedra, and faces with eight equivalent HTi6 octahedra. H is bonded to six equivalent Ti atoms to form HTi6 octahedra that share corners with six equivalent HTi6 octahedra and faces with eight equivalent SnTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureH-Sn-TiTi3SnH

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2020-07-16. Materials Data on Ti3SnH by Materials Project. https://doi.org/10.17188/1280452

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