The crystal structure described by V6O7F5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one F(1), and one F(5) atom. 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), one O(5), and one F(3) atom. In the third V site, V(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one F(1), one F(2), and one F(4) atom. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(1), one F(3), and one F(4) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(5) atom. In the sixth V site, V(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one F(4), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded to one V(1), one V(2), one V(3), and one V(6) atom to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded to one V(1), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(1), one V(2), one V(4), and one V(5) atom to form a mixture of corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(5) is bonded to one V(2), one V(3), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the sixth O site, O(6) is bonded to one V(3), one V(4), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the seventh O site, O(7) is bonded to one V(1), one V(4), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OV4 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one V(1), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one V(3), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a distorted water-like geometry to one V(1), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_V6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.753
_cell_length_b   6.072
_cell_length_c   6.145
_cell_angle_alpha   101.324
_cell_angle_beta   99.011
_cell_angle_gamma   100.040
_symmetry_Int_Tables_number   1
_cell_volume   203.189
_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  0.701  0.865  0.390  1.0
  V  V1  1  0.158  0.618  0.350  1.0
  V  V2  1  0.402  0.673  0.851  1.0
  V  V3  1  0.599  0.324  0.141  1.0
  V  V4  1  0.848  0.399  0.661  1.0
  V  V5  1  0.315  0.132  0.594  1.0
  O  O6  1  0.068  0.902  0.358  1.0
  O  O7  1  0.437  0.818  0.584  1.0
  O  O8  1  0.403  0.582  0.176  1.0
  O  O9  1  0.814  0.570  0.419  1.0
  O  O10  1  0.181  0.420  0.567  1.0
  O  O11  1  0.580  0.420  0.827  1.0
  O  O12  1  0.572  0.171  0.407  1.0
  F  F13  1  0.675  0.906  0.063  1.0
  F  F14  1  0.062  0.677  0.882  1.0
  F  F15  1  0.947  0.348  0.103  1.0
  F  F16  1  0.328  0.091  0.922  1.0
  F  F17  1  0.902  0.085  0.685  1.0
[/CIF]
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The crystal structure described by V6O7F5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one F(1), and one F(5) atom. 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), one O(5), and one F(3) atom. In the third V site, V(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one F(1), one F(2), and one F(4) atom. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(1), one F(3), and one F(4) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(5) atom. In the sixth V site, V(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one F(4), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded to one V(1), one V(2), one V(3), and one V(6) atom to form a mixture of corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded to one V(1), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(1), one V(2), one V(4), and one V(5) atom to form a mixture of corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(5) is bonded to one V(2), one V(3), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the sixth O site, O(6) is bonded to one V(3), one V(4), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the seventh O site, O(7) is bonded to one V(1), one V(4), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OV4 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one V(1), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one V(3), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a distorted water-like geometry to one V(1), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_V6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.753
_cell_length_b   6.072
_cell_length_c   6.145
_cell_angle_alpha   101.324
_cell_angle_beta   99.011
_cell_angle_gamma   100.040
_symmetry_Int_Tables_number   1
_cell_volume   203.189
_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  0.701  0.865  0.390  1.0
  V  V1  1  0.158  0.618  0.350  1.0
  V  V2  1  0.402  0.673  0.851  1.0
  V  V3  1  0.599  0.324  0.141  1.0
  V  V4  1  0.848  0.399  0.661  1.0
  V  V5  1  0.315  0.132  0.594  1.0
  O  O6  1  0.068  0.902  0.358  1.0
  O  O7  1  0.437  0.818  0.584  1.0
  O  O8  1  0.403  0.582  0.176  1.0
  O  O9  1  0.814  0.570  0.419  1.0
  O  O10  1  0.181  0.420  0.567  1.0
  O  O11  1  0.580  0.420  0.827  1.0
  O  O12  1  0.572  0.171  0.407  1.0
  F  F13  1  0.675  0.906  0.063  1.0
  F  F14  1  0.062  0.677  0.882  1.0
  F  F15  1  0.947  0.348  0.103  1.0
  F  F16  1  0.328  0.091  0.922  1.0
  F  F17  1  0.902  0.085  0.685  1.0
[/CIF]
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