Materials Data on KGaH4 by Materials Project
KGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of K–H bond distances ranging from 2.76–2.97 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Ga–H bond distances ranging from 1.58–1.61 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one K1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ga3+ atom.
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