Materials Data on Ag2W2O7 by Materials Project

Abstract

Ag2W2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.22 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.34 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.21–2.85 Å. In the second 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 2.33–2.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W6+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and two Ag1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two W6+ and one Ag1+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two W6+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form distorted edge-sharing OAgW3 tetrahedra. In the seventh O2- site, O2- is bonded in a linear geometry to two W6+ atoms.