DOI: 10.17188/1701313
title: Materials Data on V2Ag4O7 by Materials Project

description: Ag4V2O7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.74–1.90 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two AgO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.73–1.84 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with four AgO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.85 Å. In the fourth V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with four AgO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.73–1.84 Å. There are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to five O2- atoms to form AgO5 trigonal bipyramids that share corners with five VO4 tetrahedra and a cornercorner with one AgO5 trigonal bipyramid. There are a spread of Ag–O bond distances ranging from 2.39–2.56 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.76 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.66 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.66 Å. In the fifth 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 2.41–2.82 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–3.00 Å. In the seventh 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 2.28–2.59 Å. In the eighth Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with five VO4 tetrahedra and a cornercorner with one AgO5 trigonal bipyramid. There are a spread of Ag–O bond distances ranging from 2.26–2.62 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and four Ag1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and three Ag1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and two Ag1+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Ag1+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Ag1+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and two Ag1+ atoms. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and three Ag1+ atoms. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Ag1+ atoms.