Materials Data on Ag2Te4MoO12 by Materials Project

Abstract

MoAg2Te4O12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.19 Å. Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–2.78 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.87 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+, one Ag1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Ag1+ and two Te4+ atoms to form distorted corner-sharing OAg2Te2 trigonal pyramids. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and two Te4+ atoms.