DOI: 10.17188/1695316
title: Materials Data on V2Bi4O11 by Materials Project

description: Bi4V2O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form distorted corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.77–1.91 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.79 Å. In the third V5+ site, V5+ is bonded to five O2- atoms to form corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.93–2.18 Å. In the fourth V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share a cornercorner with one VO4 tetrahedra and a cornercorner with one VO5 trigonal bipyramid. There are a spread of V–O bond distances ranging from 1.74–2.06 Å. In the fifth V5+ site, V5+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share a cornercorner with one VO4 tetrahedra and a cornercorner with one VO5 trigonal bipyramid. There are a spread of V–O bond distances ranging from 1.74–2.08 Å. In the sixth V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.80–1.90 Å. There are twelve inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–3.07 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.82 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.10–2.91 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.66 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.82 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.96 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.47 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.94 Å. In the ninth Bi3+ site, Bi3+ is bonded in a bent 150 degrees geometry to two O2- atoms. There are one shorter (2.30 Å) and one longer (2.45 Å) Bi–O bond lengths. In the tenth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.79 Å. In the eleventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.95 Å. In the twelfth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.63 Å. There are thirty-three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Bi3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two V5+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.51 Å. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.51 Å. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. The O–O bond length is 1.49 Å. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Bi3+ and one O2- atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and three Bi3+ atoms. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Bi3+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted T-shaped geometry to two V5+ and one Bi3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two Bi3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted linear geometry to two V5+ atoms. In the eighteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two Bi3+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three Bi3+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Bi3+ atom. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. The O–O bond length is 1.46 Å. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.47 Å. In the twenty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Bi3+ and one O2- atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Bi3+ atoms. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three Bi3+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two Bi3+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Bi3+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V5+ and one Bi3+ atom.