Materials Data on Ag2BiO3 by Materials Project

Abstract

Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.