Materials Data on BiH3 by Materials Project
BiH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi1+ is bonded to twelve H+0.33- atoms to form a mixture of distorted corner, edge, and face-sharing BiH12 cuboctahedra. There are eight shorter (2.38 Å) and four longer (2.50 Å) Bi–H bond lengths. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded to four equivalent Bi1+ atoms to form a mixture of corner and edge-sharing HBi4 tetrahedra. In the second H+0.33- site, H+0.33- is bonded in a square co-planar geometry to four equivalent Bi1+ atoms.
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