The crystal structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of distorted edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third V site, V(3) is bonded to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   7.717
_cell_length_c   5.623
_cell_angle_alpha   93.900
_cell_angle_beta   90.002
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   202.496
_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  0.496  0.332  0.838  1.0
  V  V1  1  0.996  0.334  0.329  1.0
  V  V2  1  0.451  0.994  0.506  1.0
  V  V3  1  0.951  0.673  0.661  1.0
  V  V4  1  0.530  0.671  0.160  1.0
  V  V5  1  0.030  0.996  0.006  1.0
  O  O6  1  0.811  0.443  0.636  1.0
  O  O7  1  0.687  0.437  0.132  1.0
  O  O8  1  0.311  0.224  0.531  1.0
  O  O9  1  0.187  0.230  0.035  1.0
  O  O10  1  0.812  0.769  0.955  1.0
  O  O11  1  0.715  0.776  0.469  1.0
  O  O12  1  0.312  0.898  0.212  1.0
  O  O13  1  0.215  0.891  0.698  1.0
  F  F14  1  0.795  0.093  0.308  1.0
  F  F15  1  0.703  0.093  0.795  1.0
  F  F16  1  0.295  0.573  0.859  1.0
  F  F17  1  0.204  0.573  0.372  1.0
[/CIF]
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The crystal structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of distorted edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third V site, V(3) is bonded to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   7.717
_cell_length_c   5.623
_cell_angle_alpha   93.900
_cell_angle_beta   90.002
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   202.496
_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  0.496  0.332  0.838  1.0
  V  V1  1  0.996  0.334  0.329  1.0
  V  V2  1  0.451  0.994  0.506  1.0
  V  V3  1  0.951  0.673  0.661  1.0
  V  V4  1  0.530  0.671  0.160  1.0
  V  V5  1  0.030  0.996  0.006  1.0
  O  O6  1  0.811  0.443  0.636  1.0
  O  O7  1  0.687  0.437  0.132  1.0
  O  O8  1  0.311  0.224  0.531  1.0
  O  O9  1  0.187  0.230  0.035  1.0
  O  O10  1  0.812  0.769  0.955  1.0
  O  O11  1  0.715  0.776  0.469  1.0
  O  O12  1  0.312  0.898  0.212  1.0
  O  O13  1  0.215  0.891  0.698  1.0
  F  F14  1  0.795  0.093  0.308  1.0
  F  F15  1  0.703  0.093  0.795  1.0
  F  F16  1  0.295  0.573  0.859  1.0
  F  F17  1  0.204  0.573  0.372  1.0
[/CIF]
.