Materials Data on ThH3 by Materials Project
ThH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve H atoms to form a mixture of edge, corner, and face-sharing ThH12 cuboctahedra. There are eight shorter (2.41 Å) and four longer (2.49 Å) Th–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Th atoms to form a mixture of distorted edge and corner-sharing HTh4 tetrahedra. In the second H site, H is bonded in a square co-planar geometry to four equivalent Th atoms.
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