Materials Data on Ag2BiO3 by Materials Project

Abstract

Ag2BiO3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.33 Å. In the third Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.22–2.34 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.92 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Bi–O bond distances ranging from 2.32–2.39 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Bi–O bond distances ranging from 2.16–2.25 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Ag+1.50+ and two Bi3+ atoms. In the second O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag+1.50+ and two Bi3+ atoms. In the fifth O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the sixth O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra.