DOI: 10.17188/1707930
title: Materials Data on V8Bi46O89 by Materials Project

description: V8Bi46O89 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V sites. In the first V site, V is bonded in a 1-coordinate geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.66–2.78 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.43–2.17 Å. In the third V site, V is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.71 Å) and one longer (1.99 Å) V–O bond length. In the fourth V site, V is bonded in a 4-coordinate geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.71–1.94 Å. In the fifth V site, V is bonded in a 4-coordinate geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.73–2.03 Å. In the sixth V site, V is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of V–O bond distances ranging from 1.73–2.33 Å. In the seventh V site, V is bonded in a 4-coordinate geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. In the eighth V site, V is bonded in a 4-coordinate geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.41–2.13 Å. There are forty-six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.76–2.75 Å. In the second Bi site, Bi is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.94–2.67 Å. In the third Bi site, Bi is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.83–2.53 Å. In the fourth Bi site, Bi is bonded in a distorted L-shaped geometry to two O atoms. There is one shorter (1.66 Å) and one longer (2.12 Å) Bi–O bond length. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.74–2.71 Å. In the sixth Bi site, Bi is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.51 Å. In the seventh Bi site, Bi is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.81–2.70 Å. In the eighth Bi site, Bi is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.83–2.45 Å. In the ninth Bi site, Bi is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.47 Å. In the tenth Bi site, Bi is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.79 Å. In the eleventh Bi site, Bi is bonded in a distorted single-bond geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.66–2.63 Å. In the twelfth Bi site, Bi is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 2.03–2.80 Å. In the thirteenth Bi site, Bi is bonded in a 1-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.65–2.70 Å. In the fourteenth Bi site, Bi is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.83–2.54 Å. In the fifteenth Bi site, Bi is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.77 Å. In the sixteenth Bi site, Bi is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.80 Å. In the seventeenth Bi site, Bi is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.96–2.51 Å. In the eighteenth Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.77–2.77 Å. In the nineteenth Bi site, Bi is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.05–2.79 Å. In the twentieth Bi site, Bi is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.89–2.16 Å. In the twenty-first Bi site, Bi is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.58 Å. In the twenty-second Bi site, Bi is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.03–2.69 Å. In the twenty-third Bi site, Bi is bonded in a 1-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.84–2.63 Å. In the twenty-fourth Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.80–2.62 Å. In the twenty-fifth Bi site, Bi is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.97–2.44 Å. In the twenty-sixth Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.89–2.66 Å. In the twenty-seventh Bi site, Bi is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.92–2.73 Å. In the twenty-eighth Bi site, Bi is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.90–2.84 Å. In the twenty-ninth Bi site, Bi is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.88–2.85 Å. In the thirtieth Bi site, Bi is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.90–2.74 Å. In the thirty-first Bi site, Bi is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.76 Å. In the thirty-second Bi site, Bi is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.81 Å. In the thirty-third Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.82–2.77 Å. In the thirty-fourth Bi site, Bi is bonded in a distorted single-bond geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.70–2.69 Å. In the thirty-fifth Bi site, Bi is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.99–2.65 Å. In the thirty-sixth Bi site, Bi is bonded in a 1-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.72–2.79 Å. In the thirty-seventh Bi site, Bi is bonded in a 1-coordinate geometry to six O atoms. There are a spread of Bi–O bond distances ranging from 2.02–2.74 Å. In the thirty-eighth Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.99–2.76 Å. In the thirty-ninth Bi site, Bi is bonded in a distorted single-bond geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.79–2.57 Å. In the fortieth Bi site, Bi is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.82 Å. In the forty-first Bi site, Bi is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.82–2.72 Å. In the forty-second Bi site, Bi is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.76–2.62 Å. In the forty-third Bi site, Bi is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.65–2.33 Å. In the forty-fourth Bi site, Bi is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 1.94–2.60 Å. In the forty-fifth Bi site, Bi is bonded in a distorted water-like geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 1.91–2.82 Å. In the forty-sixth Bi site, Bi is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Bi–O bond distances ranging from 1.85–2.72 Å. There are eighty-nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one V and one Bi atom. In the second O site, O is bonded in a 1-coordinate geometry to one V and two Bi atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Bi atoms. In the fourth O site, O is bonded in a distorted water-like geometry to one V and three Bi atoms. In the fifth O site, O is bonded in a 1-coordinate geometry to three Bi atoms. In the sixth O site, O is bonded in a distorted see-saw-like geometry to four Bi atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the eighth O site, O is bonded in a 1-coordinate geometry to three Bi atoms. In the ninth O site, O is bonded in a distorted trigonal pyramidal geometry to four Bi atoms. In the tenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to three Bi atoms. In the twelfth O site, O is bonded in a distorted linear geometry to one V and one Bi atom. In the thirteenth O site, O is bonded in a 4-coordinate geometry to four Bi atoms. In the fourteenth O site, O is bonded in a distorted single-bond geometry to two Bi atoms. In the fifteenth O site, O is bonded in a 1-coordinate geometry to one V and one Bi atom. In the sixteenth O site, O is bonded in a 1-coordinate geometry to three Bi atoms. In the seventeenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the eighteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the nineteenth O site, O is bonded in a 2-coordinate geometry to three Bi atoms. In the twentieth O site, O is bonded in a distorted single-bond geometry to three Bi atoms. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to one V and one Bi atom. In the twenty-second O site, O is bonded in a distorted single-bond geometry to three Bi atoms. In the twenty-third O site, O is bonded in a distorted single-bond geometry to two Bi atoms. In the twenty-fourth O site, O is bonded in a 1-coordinate geometry to one V and two Bi atoms. In the twenty-fifth O site, O is bonded in a trigonal non-coplanar geometry to three Bi atoms. In the twenty-sixth O site, O is bonded in a 3-coordinate geometry to three Bi atoms. In the twenty-seventh O site, O is bonded in a distorted single-bond geometry to one V and two Bi atoms. In the twenty-eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the twenty-ninth O site, O is bonded in a 3-coordinate geometry to three Bi atoms. In the thirtieth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the thirty-first O site, O is bonded in a single-bond geometry to one Bi atom. In the thirty-second O site, O is bonded in a distorted bent 120 degrees geometry to one V and two Bi atoms. In the thirty-third O site, O is bonded in a distorted water-like geometry to two Bi atoms. In the thirty-fourth O site, O is bonded in a distorted single-bond geometry to three Bi atoms. In the thirty-fifth O site, O is bonded in a distorted L-shaped geometry to one V and one Bi atom. In the thirty-sixth O site, O is bonded in a 1-coordinate geometry to three Bi atoms. In the thirty-seventh O site, O is bonded in a 2-coordinate geometry to two Bi atoms. In the thirty-eighth O site, O is bonded in a distorted water-like geometry to two Bi atoms. In the thirty-ninth O site, O is bonded