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Materials Data on CaH2Pd by Materials Project

CaPdH2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent H atoms. All Ca–H bond lengths are 2.58 Å. Pd is bonded in a square co-planar geometry to four equivalent H atoms. All Pd–H bond lengths are 1.86 Å. H is bonded to four equivalent Ca and two equivalent Pd atoms to form a mixture of edge, corner, and face-sharing HCa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

36 MATERIALS SCIENCE↗