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Materials Data on ZrPdF6 by Materials Project

ZrPdF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Zr–F bond lengths are 2.04 Å. Pd2+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Pd–F bond lengths are 2.19 Å. F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Pd2+ atom.

36 MATERIALS SCIENCE↗