Materials Data on AlSi3AgO8 by Materials Project
AgAlSi3O8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AgAlSi3O8 sheet oriented in the (0, -1, 1) direction. Ag1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (1.86 Å) and one longer (2.61 Å) Ag–O bond lengths. Al3+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (0.96 Å) and one longer (1.64 Å) Al–O bond length. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.17–2.31 Å. In the second Si4+ site, Si4+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.82–2.21 Å. In the third Si4+ site, Si4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.18–2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and one O2- atom. The O–O bond length is 1.84 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Al3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Si4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two O2- atoms. The O–O bond length is 2.23 Å.