The material structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third V site, V(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fourth V site, V(4) is bonded to one O(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(4) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) 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(4) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.717
_cell_length_b   4.717
_cell_length_c   9.024
_cell_angle_alpha   89.241
_cell_angle_beta   89.241
_cell_angle_gamma   90.108
_symmetry_Int_Tables_number   1
_cell_volume   200.741
_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  0.041  0.015  0.846  1.0
  V  V1  1  0.985  0.959  0.154  1.0
  V  V2  1  0.011  0.989  0.500  1.0
  V  V3  1  0.509  0.491  0.000  1.0
  V  V4  1  0.465  0.516  0.654  1.0
  V  V5  1  0.484  0.535  0.346  1.0
  O  O6  1  0.213  0.787  0.000  1.0
  O  O7  1  0.191  0.805  0.328  1.0
  O  O8  1  0.195  0.809  0.672  1.0
  O  O9  1  0.693  0.683  0.170  1.0
  O  O10  1  0.698  0.709  0.503  1.0
  O  O11  1  0.317  0.307  0.830  1.0
  O  O12  1  0.291  0.302  0.497  1.0
  O  O13  1  0.808  0.192  0.000  1.0
  F  F14  1  0.707  0.706  0.829  1.0
  F  F15  1  0.294  0.293  0.171  1.0
  F  F16  1  0.804  0.207  0.670  1.0
  F  F17  1  0.793  0.196  0.330  1.0
[/CIF]
.
The material structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third V site, V(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fourth V site, V(4) is bonded to one O(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(4) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) 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(4) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.717
_cell_length_b   4.717
_cell_length_c   9.024
_cell_angle_alpha   89.241
_cell_angle_beta   89.241
_cell_angle_gamma   90.108
_symmetry_Int_Tables_number   1
_cell_volume   200.741
_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  0.041  0.015  0.846  1.0
  V  V1  1  0.985  0.959  0.154  1.0
  V  V2  1  0.011  0.989  0.500  1.0
  V  V3  1  0.509  0.491  0.000  1.0
  V  V4  1  0.465  0.516  0.654  1.0
  V  V5  1  0.484  0.535  0.346  1.0
  O  O6  1  0.213  0.787  0.000  1.0
  O  O7  1  0.191  0.805  0.328  1.0
  O  O8  1  0.195  0.809  0.672  1.0
  O  O9  1  0.693  0.683  0.170  1.0
  O  O10  1  0.698  0.709  0.503  1.0
  O  O11  1  0.317  0.307  0.830  1.0
  O  O12  1  0.291  0.302  0.497  1.0
  O  O13  1  0.808  0.192  0.000  1.0
  F  F14  1  0.707  0.706  0.829  1.0
  F  F15  1  0.294  0.293  0.171  1.0
  F  F16  1  0.804  0.207  0.670  1.0
  F  F17  1  0.793  0.196  0.330  1.0
[/CIF]
.