Materials Data on VPb2Se3O10 by Materials Project
VPb2Se3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.11 Å. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–2.89 Å. In the second Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.89 Å. There are three inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. In the third Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+, one Pb3+, and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, one Pb3+, and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Pb3+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one Se+3.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V4+ and one Pb3+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Pb3+, and one Se+3.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one Se+3.33+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb3+ and one Se+3.33+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pb3+ and one Se+3.33+ atom.