DOE OSTI2018
AgVO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.69–1.85 Å. In the third V5+ site, V5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.39 Å. In the fourth V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and an edgeedge with one VO5 trigonal bipyramid. There are a spread of V–O bond distances ranging from 1.68–1.98 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.92 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.42 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.30–2.58 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.47 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two V5+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and one Ag1+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and one Ag1+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Ag1+ atoms.