Materials Data on P3Pd by Materials Project
PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent P+0.67- atoms to form PdP6 octahedra that share corners with six equivalent PdP6 octahedra and corners with twelve equivalent PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd–P bond lengths are 2.45 Å. P+0.67- is bonded to two equivalent Pd2+ and two equivalent P+0.67- atoms to form PP2Pd2 tetrahedra that share corners with four equivalent PdP6 octahedra, corners with ten equivalent PP2Pd2 tetrahedra, and an edgeedge with one PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths.
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