Materials Data on CaPd5 by Materials Project
CaPd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.09 Å) and twelve longer (3.49 Å) Ca–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ca and six equivalent Pd atoms. All Pd–Pd bond lengths are 2.73 Å. In the second Pd site, Pd is bonded to four equivalent Ca and eight Pd atoms to form a mixture of face, edge, and corner-sharing PdCa4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.67 Å.
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