Materials Data on Ag6Mo10O33 by Materials Project

Abstract

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 1.75–2.30 Å. In the second Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.51 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 1.76–2.45 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 1.74–2.30 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 1.74–2.40 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.22–2.92 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 2.30–3.03 Å. In the third 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 2.34–2.71 Å. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ag1+ atom. In the fifth O2- site, O2- is bonded to three Mo6+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing OAgMo3 tetrahedra. In the sixth O2- site, O2- is bonded to three Mo6+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing OAgMo3 tetrahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a square co-planar geometry to four Mo6+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo6+ and one Ag1+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo6+ and one Ag1+ atom. In the twelfth O2- site, O2- is bonded in a distorted linear geometry to one Mo6+ and one Ag1+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and one Ag1+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag1+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ and one Ag1+ atom.