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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SiAg6SO8 by Materials Project

Ag6SiSO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.22 Å) and two longer (2.58 Å) Ag–O bond lengths. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.46 Å) and two longer (2.56 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. S2- is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag+2.33+ and one S2- atom. In the second O2- site, O2- is bonded to three Ag+2.33+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiAg8(SO2)2 by Materials Project

Ag8Si(SO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.54 Å. Both Ag–O bond lengths are 3.06 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.34 Å. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent O2- atoms. Both Ag–S bond lengths are 2.71 Å. Both Ag–O bond lengths are 2.68 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SAg6O2 hexagonal bipyramids. All Si–O bond lengths are 1.66 Å. S2- is bonded to six Ag1+ and two equivalent O2- atoms to form distorted SAg6O2 hexagonal bipyramids that share corners with four equivalent SAg6O2 hexagonal bipyramids and corners with two equivalent SiO4 tetrahedra. Both S–O bond lengths are 2.56 Å. O2- is bonded in a 1-coordinate geometry to four Ag1+, one Si4+, and one S2- atom.

36 MATERIALS SCIENCE↗