Materials Data on HgPdF4 by Materials Project

Abstract

PdHgF4 is Hydrophilite-derived structured and 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 HgF6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are a spread of Pd–F bond distances ranging from 2.20–2.24 Å. Hg2+ is bonded to six F1- atoms to form HgF6 octahedra that share corners with four equivalent HgF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Hg–F bond distances ranging from 2.31–2.39 Å. 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 Hg2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Hg2+ atoms.