Materials Data on Ag2AsS2 by Materials Project
Ag2AsS2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.58–2.69 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.61–2.72 Å. In the third Ag1+ site, Ag1+ is bonded to four S2- atoms to form distorted corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.61–2.70 Å. In the fourth Ag1+ site, Ag1+ is bonded in a T-shaped geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.69 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.65 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.48–3.10 Å. In the seventh Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two equivalent S2- atoms. There are one shorter (2.43 Å) and one longer (2.46 Å) Ag–S bond lengths. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.92 Å. There are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.25 Å) and one longer (2.32 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.25 Å) and one longer (2.28 Å) As–S bond lengths. In the fourth As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.28 Å) As–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As2+ atom. In the second S2- site, S2- is bonded to three Ag1+ and one As2+ atom to form distorted corner-sharing SAg3As tetrahedra. In the third S2- site, S2- is bonded to three Ag1+ and one As2+ atom to form distorted corner-sharing SAg3As tetrahedra. In the fourth S2- site, S2- is bonded to three Ag1+ and one As2+ atom to form corner-sharing SAg3As tetrahedra. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As2+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one As2+ atom. In the seventh S2- site, S2- is bonded in a 6-coordinate geometry to five Ag1+ and one As2+ atom. In the eighth S2- site, S2- is bonded to three Ag1+ and one As2+ atom to form distorted corner-sharing SAg3As tetrahedra.