DOI: 10.17188/1692587
title: Materials Data on Ag6Mo10O33 by Materials Project

description: Ag6Mo10O33 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.42 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.43 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.26 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.68 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 2.34–2.74 Å. In the third Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–3.01 Å. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mo6+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo6+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two Ag1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Ag1+ atom. In the twelfth O2- site, O2- is bonded to three Mo6+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OAgMo3 tetrahedra. In the thirteenth O2- site, O2- is bonded to three Mo6+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OAgMo3 tetrahedra. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two Ag1+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Ag1+ atom. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.