Materials Data on Ag2Hg(SeO3)2 by Materials Project
Ag2Hg(SeO3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first 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 2.48–2.86 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 2.44–2.89 Å. Hg2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.63 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.77 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ag1+, one Hg2+, and one Se4+ atom to form distorted corner-sharing OAg2HgSe trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Hg2+, and one Se4+ atom. In the third O2- site, O2- is bonded to two equivalent Ag1+, one Hg2+, and one Se4+ atom to form distorted corner-sharing OAg2HgSe tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Hg2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+, one Hg2+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+, one Hg2+, and one Se4+ atom.