Materials Data on Ba(Ag3O2)2 by Materials Project

Abstract

Ba(Ag3O2)2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form edge-sharing BaO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.65–2.93 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.12 Å) and one longer (2.14 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.11 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (3.00 Å) Ag–O bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and three Ag1+ atoms to form a mixture of corner and edge-sharing OBa2Ag3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and four Ag1+ atoms.