The crystal structure described by (VF3)4O2 crystallizes in the orthorhombic Ima2 space group. The structure consists of four water atoms inside a VF3 framework. In the VF3 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   120.291
_cell_angle_beta   119.707
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   293.994
_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  0.499  1.000  0.999  1.0
  V  V1  1  0.999  0.000  0.499  1.0
  V  V2  1  0.499  0.000  0.499  1.0
  V  V3  1  0.499  0.500  0.999  1.0
  O  O4  1  0.859  0.647  0.712  1.0
  O  O5  1  0.065  0.353  0.212  1.0
  F  F6  1  0.560  0.310  0.120  1.0
  F  F7  1  0.188  0.940  0.377  1.0
  F  F8  1  0.563  0.313  0.749  1.0
  F  F9  1  0.188  0.940  0.749  1.0
  F  F10  1  0.188  0.311  0.748  1.0
  F  F11  1  0.560  0.940  0.750  1.0
  F  F12  1  0.437  0.689  0.877  1.0
  F  F13  1  0.810  0.060  0.620  1.0
  F  F14  1  0.436  0.687  0.249  1.0
  F  F15  1  0.809  0.060  0.249  1.0
  F  F16  1  0.810  0.690  0.250  1.0
  F  F17  1  0.437  0.060  0.248  1.0
[/CIF]
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The crystal structure described by (VF3)4O2 crystallizes in the orthorhombic Ima2 space group. The structure consists of four water atoms inside a VF3 framework. In the VF3 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   120.291
_cell_angle_beta   119.707
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   293.994
_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  0.499  1.000  0.999  1.0
  V  V1  1  0.999  0.000  0.499  1.0
  V  V2  1  0.499  0.000  0.499  1.0
  V  V3  1  0.499  0.500  0.999  1.0
  O  O4  1  0.859  0.647  0.712  1.0
  O  O5  1  0.065  0.353  0.212  1.0
  F  F6  1  0.560  0.310  0.120  1.0
  F  F7  1  0.188  0.940  0.377  1.0
  F  F8  1  0.563  0.313  0.749  1.0
  F  F9  1  0.188  0.940  0.749  1.0
  F  F10  1  0.188  0.311  0.748  1.0
  F  F11  1  0.560  0.940  0.750  1.0
  F  F12  1  0.437  0.689  0.877  1.0
  F  F13  1  0.810  0.060  0.620  1.0
  F  F14  1  0.436  0.687  0.249  1.0
  F  F15  1  0.809  0.060  0.249  1.0
  F  F16  1  0.810  0.690  0.250  1.0
  F  F17  1  0.437  0.060  0.248  1.0
[/CIF]
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