The material structure described by V6O13 crystallizes in the monoclinic Pc space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(5), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and two equivalent O(10) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. In the fifth V site, V(5) is bonded to one O(12), one O(2), one O(3), one O(4), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(7), one O(8), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the eleventh O site, O(11) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the twelfth O site, O(12) is bonded in a linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(5) atoms. is represented by the CIF card [CIF]
data_V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   6.367
_cell_length_c   10.293
_cell_angle_alpha   100.446
_cell_angle_beta   90.000
_cell_angle_gamma   107.090
_symmetry_Int_Tables_number   1
_cell_volume   230.146
_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
  O  O0  1  0.694  0.887  0.587  1.0
  O  O1  1  0.638  0.777  0.193  1.0
  O  O2  1  0.432  0.363  0.996  1.0
  O  O3  1  0.576  0.652  0.798  1.0
  O  O4  1  0.814  0.127  0.404  1.0
  O  O5  1  0.374  0.248  0.612  1.0
  O  O6  1  0.866  0.232  0.798  1.0
  O  O7  1  0.930  0.359  0.194  1.0
  O  O8  1  0.134  0.768  0.381  1.0
  O  O9  1  0.000  0.501  0.586  1.0
  O  O10  1  0.507  0.515  0.407  1.0
  O  O11  1  0.749  0.998  0.997  1.0
  O  O12  1  0.071  0.643  0.996  1.0
  V  V13  1  0.841  0.182  0.632  1.0
  V  V14  1  0.667  0.833  0.360  1.0
  V  V15  1  0.540  0.580  0.631  1.0
  V  V16  1  0.967  0.435  0.361  1.0
  V  V17  1  0.609  0.718  0.995  1.0
  V  V18  1  0.907  0.314  0.998  1.0
[/CIF]
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The material structure described by V6O13 crystallizes in the monoclinic Pc space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(5), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and two equivalent O(10) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. In the fifth V site, V(5) is bonded to one O(12), one O(2), one O(3), one O(4), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(7), one O(8), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the eleventh O site, O(11) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the twelfth O site, O(12) is bonded in a linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(5) atoms. is represented by the CIF card [CIF]
data_V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   6.367
_cell_length_c   10.293
_cell_angle_alpha   100.446
_cell_angle_beta   90.000
_cell_angle_gamma   107.090
_symmetry_Int_Tables_number   1
_cell_volume   230.146
_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
  O  O0  1  0.694  0.887  0.587  1.0
  O  O1  1  0.638  0.777  0.193  1.0
  O  O2  1  0.432  0.363  0.996  1.0
  O  O3  1  0.576  0.652  0.798  1.0
  O  O4  1  0.814  0.127  0.404  1.0
  O  O5  1  0.374  0.248  0.612  1.0
  O  O6  1  0.866  0.232  0.798  1.0
  O  O7  1  0.930  0.359  0.194  1.0
  O  O8  1  0.134  0.768  0.381  1.0
  O  O9  1  0.000  0.501  0.586  1.0
  O  O10  1  0.507  0.515  0.407  1.0
  O  O11  1  0.749  0.998  0.997  1.0
  O  O12  1  0.071  0.643  0.996  1.0
  V  V13  1  0.841  0.182  0.632  1.0
  V  V14  1  0.667  0.833  0.360  1.0
  V  V15  1  0.540  0.580  0.631  1.0
  V  V16  1  0.967  0.435  0.361  1.0
  V  V17  1  0.609  0.718  0.995  1.0
  V  V18  1  0.907  0.314  0.998  1.0
[/CIF]
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