Materials Data on AgBiO3 by Materials Project

Abstract

AgBiO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.96 Å) Ag–O bond lengths. Bi5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.25 Å) and two longer (2.33 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra.