Materials Data on Bi2SO7 by Materials Project
Bi2SO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.84 Å. In the second Bi4+ site, Bi4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.65 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Bi4+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Bi4+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one S6+ atom.