Materials Data on Hg2P4PdO8 by Materials Project

Abstract

PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pd2+ is bonded in a 4-coordinate geometry to four equivalent P3+ atoms. All Pd–P bond lengths are 2.32 Å. Hg1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.69 Å) Hg–O bond lengths. P3+ is bonded in a bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.49 Å) and one longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one P3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg1+ and one P3+ atom.