The compound described by V4O7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. In the third V site, V(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the second O site, O(2) 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 third O site, O(3) is bonded to one V(2), one V(4), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one V(3), one V(4), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the seventh O site, O(7) 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 trigonal pyramids. is represented by the CIF card [CIF]
data_V4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.166
_cell_length_c   6.441
_cell_angle_alpha   69.733
_cell_angle_beta   87.057
_cell_angle_gamma   82.856
_symmetry_Int_Tables_number   1
_cell_volume   225.956
_cell_formula_units_Z   2
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  0.586  0.745  0.985  1.0
  V  V1  1  0.414  0.255  0.015  1.0
  V  V2  1  0.358  0.181  0.586  1.0
  V  V3  1  0.642  0.819  0.414  1.0
  V  V4  1  0.134  0.699  0.794  1.0
  V  V5  1  0.866  0.301  0.206  1.0
  V  V6  1  0.880  0.307  0.727  1.0
  V  V7  1  0.120  0.693  0.273  1.0
  O  O8  1  0.328  0.438  0.664  1.0
  O  O9  1  0.672  0.562  0.336  1.0
  O  O10  1  0.925  0.653  0.600  1.0
  O  O11  1  0.075  0.347  0.400  1.0
  O  O12  1  0.387  0.907  0.186  1.0
  O  O13  1  0.613  0.093  0.814  1.0
  O  O14  1  0.898  0.982  0.260  1.0
  O  O15  1  0.102  0.018  0.740  1.0
  O  O16  1  0.317  0.579  0.056  1.0
  O  O17  1  0.683  0.421  0.944  1.0
  O  O18  1  0.553  0.172  0.342  1.0
  O  O19  1  0.447  0.828  0.658  1.0
  O  O20  1  0.920  0.697  0.023  1.0
  O  O21  1  0.080  0.303  0.977  1.0
[/CIF]
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The compound described by V4O7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. In the third V site, V(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the second O site, O(2) 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 third O site, O(3) is bonded to one V(2), one V(4), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one V(3), one V(4), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OV4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the seventh O site, O(7) 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 trigonal pyramids. is represented by the CIF card [CIF]
data_V4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.166
_cell_length_c   6.441
_cell_angle_alpha   69.733
_cell_angle_beta   87.057
_cell_angle_gamma   82.856
_symmetry_Int_Tables_number   1
_cell_volume   225.956
_cell_formula_units_Z   2
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  0.586  0.745  0.985  1.0
  V  V1  1  0.414  0.255  0.015  1.0
  V  V2  1  0.358  0.181  0.586  1.0
  V  V3  1  0.642  0.819  0.414  1.0
  V  V4  1  0.134  0.699  0.794  1.0
  V  V5  1  0.866  0.301  0.206  1.0
  V  V6  1  0.880  0.307  0.727  1.0
  V  V7  1  0.120  0.693  0.273  1.0
  O  O8  1  0.328  0.438  0.664  1.0
  O  O9  1  0.672  0.562  0.336  1.0
  O  O10  1  0.925  0.653  0.600  1.0
  O  O11  1  0.075  0.347  0.400  1.0
  O  O12  1  0.387  0.907  0.186  1.0
  O  O13  1  0.613  0.093  0.814  1.0
  O  O14  1  0.898  0.982  0.260  1.0
  O  O15  1  0.102  0.018  0.740  1.0
  O  O16  1  0.317  0.579  0.056  1.0
  O  O17  1  0.683  0.421  0.944  1.0
  O  O18  1  0.553  0.172  0.342  1.0
  O  O19  1  0.447  0.828  0.658  1.0
  O  O20  1  0.920  0.697  0.023  1.0
  O  O21  1  0.080  0.303  0.977  1.0
[/CIF]
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