Materials Data on Bi(PdO2)2 by Materials Project

BiPd2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pd3+ sites. In the first Pd3+ site, Pd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.29 Å) Pd–O bond lengths. In the second Pd3+ site, Pd3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pd–O bond distances ranging from 2.11–2.25 Å. In the third Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.24 Å. In the fourth Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.66 Å. Bi2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 1.95–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Pd3+ and one Bi2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Pd3+ and one Bi2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pd3+, one Bi2+, and one O2- atom. The O–O bond length is 1.59 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Pd3+ and one O2- atom.