The material described by V9O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second V site, V(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third V site, V(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth V site, V(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(4) and four equivalent V(2) atoms to form OV6 octahedra that share corners with four equivalent O(3)V5 square pyramids, edges with two equivalent O(1)V6 octahedra, and edges with six equivalent O(3)V5 square pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the third O site, O(3) is bonded to two equivalent V(4) and three equivalent V(2) atoms to form OV5 square pyramids that share corners with two equivalent O(1)V6 octahedra, edges with three equivalent O(1)V6 octahedra, and edges with four equivalent O(3)V5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(3) and two equivalent V(5) atoms. In the sixth O site, O(6) is bonded to one V(1), two equivalent V(3), and two equivalent V(5) atoms to form a mixture of edge and corner-sharing OV5 square pyramids. In the seventh O site, O(7) is bonded to two equivalent V(1) and three equivalent V(3) atoms to form a mixture of edge and corner-sharing OV5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   17.719
_cell_angle_alpha   82.044
_cell_angle_beta   82.044
_cell_angle_gamma   31.823
_symmetry_Int_Tables_number   1
_cell_volume   266.046
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.357  0.357  0.042  1.0
  V  V2  1  0.643  0.643  0.958  1.0
  V  V3  1  0.258  0.258  0.418  1.0
  V  V4  1  0.742  0.742  0.582  1.0
  V  V5  1  0.070  0.070  0.125  1.0
  V  V6  1  0.930  0.930  0.875  1.0
  V  V7  1  0.028  0.028  0.323  1.0
  V  V8  1  0.972  0.972  0.677  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.105  0.105  0.232  1.0
  O  O11  1  0.895  0.895  0.768  1.0
  O  O12  1  0.710  0.710  0.070  1.0
  O  O13  1  0.290  0.290  0.930  1.0
  O  O14  1  0.450  0.450  0.135  1.0
  O  O15  1  0.550  0.550  0.865  1.0
  O  O16  1  0.406  0.406  0.328  1.0
  O  O17  1  0.594  0.594  0.672  1.0
  O  O18  1  0.620  0.620  0.387  1.0
  O  O19  1  0.380  0.380  0.613  1.0
  O  O20  1  0.868  0.868  0.472  1.0
  O  O21  1  0.132  0.132  0.528  1.0
[/CIF]
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The material described by V9O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second V site, V(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third V site, V(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth V site, V(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(4) and four equivalent V(2) atoms to form OV6 octahedra that share corners with four equivalent O(3)V5 square pyramids, edges with two equivalent O(1)V6 octahedra, and edges with six equivalent O(3)V5 square pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the third O site, O(3) is bonded to two equivalent V(4) and three equivalent V(2) atoms to form OV5 square pyramids that share corners with two equivalent O(1)V6 octahedra, edges with three equivalent O(1)V6 octahedra, and edges with four equivalent O(3)V5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(3) and two equivalent V(5) atoms. In the sixth O site, O(6) is bonded to one V(1), two equivalent V(3), and two equivalent V(5) atoms to form a mixture of edge and corner-sharing OV5 square pyramids. In the seventh O site, O(7) is bonded to two equivalent V(1) and three equivalent V(3) atoms to form a mixture of edge and corner-sharing OV5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   17.719
_cell_angle_alpha   82.044
_cell_angle_beta   82.044
_cell_angle_gamma   31.823
_symmetry_Int_Tables_number   1
_cell_volume   266.046
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.357  0.357  0.042  1.0
  V  V2  1  0.643  0.643  0.958  1.0
  V  V3  1  0.258  0.258  0.418  1.0
  V  V4  1  0.742  0.742  0.582  1.0
  V  V5  1  0.070  0.070  0.125  1.0
  V  V6  1  0.930  0.930  0.875  1.0
  V  V7  1  0.028  0.028  0.323  1.0
  V  V8  1  0.972  0.972  0.677  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.105  0.105  0.232  1.0
  O  O11  1  0.895  0.895  0.768  1.0
  O  O12  1  0.710  0.710  0.070  1.0
  O  O13  1  0.290  0.290  0.930  1.0
  O  O14  1  0.450  0.450  0.135  1.0
  O  O15  1  0.550  0.550  0.865  1.0
  O  O16  1  0.406  0.406  0.328  1.0
  O  O17  1  0.594  0.594  0.672  1.0
  O  O18  1  0.620  0.620  0.387  1.0
  O  O19  1  0.380  0.380  0.613  1.0
  O  O20  1  0.868  0.868  0.472  1.0
  O  O21  1  0.132  0.132  0.528  1.0
[/CIF]
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