Materials Data on Bi2Pd(SeO3)4 by Materials Project

Bi2Pd(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four O2- atoms. All Pd–O bond lengths are 2.04 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.87 Å. There are two inequivalent Se+3.50+ sites. In the first Se+3.50+ site, Se+3.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.77 Å) Se–O bond length. In the second Se+3.50+ site, Se+3.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pd4+, one Bi3+, and one Se+3.50+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi3+ and one Se+3.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Pd4+ and one Se+3.50+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom.