Materials Data on Si4Ag10O13 by Materials Project
Ag10Si4O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are ten inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.80 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (1.99 Å) and one longer (2.46 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (2.15 Å) Ag–O bond length. In the fourth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one O2- atom. The Ag–O bond length is 2.44 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.15 Å) and one longer (2.16 Å) Ag–O bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.94 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.92 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.30 Å) and one longer (2.55 Å) Ag–O bond lengths. In the ninth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.75 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 1.95–2.67 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.58–2.38 Å. In the second Si4+ site, Si4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.61–2.09 Å. In the third Si4+ site, Si4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.65–2.10 Å. In the fourth Si4+ site, Si4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.37–2.50 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to five Ag1+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two Si4+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to one Ag1+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to three Ag1+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two Si4+ atoms.