DOI: 10.17188/1723867
title: Materials Data on V18Ag2O45 by Materials Project

description: V18Ag2O45 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent V+4.89+ sites. In the first V+4.89+ site, V+4.89+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.19–2.60 Å. In the second V+4.89+ site, V+4.89+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.21–2.42 Å. In the third V+4.89+ site, V+4.89+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.20–2.41 Å. In the fourth V+4.89+ site, V+4.89+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.15 Å. In the fifth V+4.89+ site, V+4.89+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.49–2.30 Å. In the sixth V+4.89+ site, V+4.89+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.26–2.48 Å. In the seventh V+4.89+ site, V+4.89+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.29–2.62 Å. In the eighth V+4.89+ site, V+4.89+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.39–2.40 Å. In the ninth V+4.89+ site, V+4.89+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.32 Å. In the tenth V+4.89+ site, V+4.89+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.36 Å. In the eleventh V+4.89+ site, V+4.89+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.46–2.10 Å. In the twelfth V+4.89+ site, V+4.89+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.18–2.26 Å. In the thirteenth V+4.89+ site, V+4.89+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.40–2.49 Å. In the fourteenth V+4.89+ site, V+4.89+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.76–2.28 Å. In the fifteenth V+4.89+ site, V+4.89+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.52–2.33 Å. In the sixteenth V+4.89+ site, V+4.89+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.43–1.81 Å. In the seventeenth V+4.89+ site, V+4.89+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.30–2.13 Å. In the eighteenth V+4.89+ site, V+4.89+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.21–2.23 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.60 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.08–2.55 Å. There are forty-five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.89+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.89+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.89+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V+4.89+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted water-like geometry to two V+4.89+ atoms. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.89+ atoms. In the seventeenth O2- site, O2- is bonded in a 1-coordinate geometry to one V+4.89+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the nineteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.89+ atoms. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the twenty-first O2- site, O2- is bonded in a distorted water-like geometry to two V+4.89+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to two V+4.89+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.89+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the twenty-seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.89+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.89+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ atom. In the thirty-first O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the thirty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the thirty-third O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the thirty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.89+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the thirty-sixth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the thirty-seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.89+ atoms. In the thirty-eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.89+ atom. In the thirty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to two V+4.89+ atoms. In the fortieth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the forty-first O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the forty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the forty-third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.89+ atoms. In the forty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom. In the forty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.89+ and one Ag1+ atom.