Materials Data on Bi4O7 by Materials Project

Abstract

Bi4O7 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. Bi+3.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.48 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.