Materials Data on Ca3Pd by Materials Project
Ca3Pd is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 2.97–3.42 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Pd atoms. There are one shorter (2.89 Å) and one longer (2.99 Å) Ca–Pd bond lengths. Pd is bonded in a 6-coordinate geometry to eight Ca atoms.
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