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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdPdF6 by Materials Project

PdCdF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent CdF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pd–F bond lengths are 1.95 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Cd–F bond lengths are 2.27 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPdF4 by Materials Project

PdCdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are two shorter (2.21 Å) and four longer (2.24 Å) Pd–F bond lengths. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent CdF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are four shorter (2.27 Å) and two longer (2.31 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗