Materials Data on SiBi3O7 by Materials Project

Abstract

SiBi3O7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.65 Å) and three longer (1.67 Å) Si–O bond length. Bi+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Bi+3.33+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and three equivalent Bi+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi+3.33+ atoms.