Materials Data on V5O9 by Materials Project
V5O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent V+3.60+ sites. In the first V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There are a spread of V–O bond distances ranging from 1.76–2.15 Å. In the second V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of V–O bond distances ranging from 1.91–2.14 Å. In the third V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of V–O bond distances ranging from 1.76–2.16 Å. In the fourth V+3.60+ site, V+3.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.78–2.19 Å. In the fifth V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–62°. There are a spread of V–O bond distances ranging from 1.94–2.11 Å. In the sixth V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are a spread of V–O bond distances ranging from 1.90–2.15 Å. In the seventh V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are a spread of V–O bond distances ranging from 1.86–2.13 Å. In the eighth V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are a spread of V–O bond distances ranging from 1.78–2.24 Å. In the ninth V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of V–O bond distances ranging from 2.00–2.08 Å. In the tenth V+3.60+ site, V+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of V–O bond distances ranging from 1.98–2.11 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.60+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three V+3.60+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.60+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.60+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the eleventh O2- site, O2- is bonded to four V+3.60+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the twelfth O2- site, O2- is bonded to four V+3.60+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.60+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.60+ atoms. In the fifteenth O2- site, O2- is bonded to four V+3.60+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the sixteenth O2- site, O2- is bonded to four V+3.60+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the seventeenth O2- site, O2- is bonded to four V+3.60+ atoms to form distorted edge-sharing OV4 trigonal pyramids. In the eighteenth O2- site, O2- is bonded in a distorted see-saw-like geometry to four V+3.60+ atoms.