Materials Data on Ag2Hg2(TeO4)3 by Materials Project
Ag2Hg2(TeO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.89 Å. Hg2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.85 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.96–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, two equivalent Hg2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+, one Hg2+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+, one Hg2+, and two equivalent Te6+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Ag1+, one Hg2+, and one Te6+ atom to form distorted corner-sharing OAg2HgTe trigonal pyramids.