Materials Data on GaH3 by Materials Project
GaH3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga3+ is bonded to twelve H1- atoms to form a mixture of corner, edge, and face-sharing GaH12 cuboctahedra. There are four shorter (2.03 Å) and eight longer (2.16 Å) Ga–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 4-coordinate geometry to four equivalent Ga3+ atoms. In the second H1- site, H1- is bonded in a square co-planar geometry to four equivalent Ga3+ atoms.
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