DOI: 10.17188/1701406
title: Materials Data on V11Sb9O40 by Materials Project

description: V11Sb9O40 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are six inequivalent V+4.82+ sites. In the first V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of V–O bond distances ranging from 1.99–2.10 Å. In the second V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are one shorter (2.03 Å) and five longer (2.04 Å) V–O bond lengths. In the third V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.02 Å) and four longer (2.05 Å) V–O bond lengths. In the fourth V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of V–O bond distances ranging from 1.80–2.12 Å. In the fifth V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of V–O bond distances ranging from 2.01–2.06 Å. In the sixth V+4.82+ site, V+4.82+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.03 Å) and four longer (2.05 Å) V–O bond lengths. There are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight VO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. In the second Sb3+ site, Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight VO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. In the third Sb3+ site, Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight VO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. In the fourth Sb3+ site, Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (1.99 Å) and four longer (2.03 Å) Sb–O bond lengths. In the fifth Sb3+ site, Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight VO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.82+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the seventeenth O2- site, O2- is bonded in a trigonal planar geometry to three V+4.82+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V+4.82+ and one Sb3+ atom. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.82+ and two equivalent Sb3+ atoms.