Materials Data on Ca5Ge3H by Materials Project
Ca5Ge3H crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Ge atoms. All Ca–Ge bond lengths are 3.10 Å. In the second Ca site, Ca is bonded in a distorted single-bond geometry to five Ge and one H atom. There are a spread of Ca–Ge bond distances ranging from 3.12–3.24 Å. The Ca–H bond length is 2.35 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Ca atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.57 Å. H is bonded in a tetrahedral geometry to four equivalent Ca atoms.