The material described by VF3 crystallizes in the tetragonal P4_2/mnm space group. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.870
_cell_length_b   4.870
_cell_length_c   9.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.191
_cell_formula_units_Z   4
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  0.500  0.500  0.328  1.0
  V  V1  1  0.500  0.500  0.672  1.0
  V  V2  1  0.000  0.000  0.172  1.0
  V  V3  1  0.000  0.000  0.828  1.0
  F  F4  1  0.681  0.319  0.500  1.0
  F  F5  1  0.712  0.288  0.820  1.0
  F  F6  1  0.712  0.288  0.180  1.0
  F  F7  1  0.788  0.788  0.680  1.0
  F  F8  1  0.788  0.788  0.320  1.0
  F  F9  1  0.819  0.819  0.000  1.0
  F  F10  1  0.181  0.181  0.000  1.0
  F  F11  1  0.212  0.212  0.320  1.0
  F  F12  1  0.212  0.212  0.680  1.0
  F  F13  1  0.288  0.712  0.180  1.0
  F  F14  1  0.288  0.712  0.820  1.0
  F  F15  1  0.319  0.681  0.500  1.0
[/CIF]
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The material described by VF3 crystallizes in the tetragonal P4_2/mnm space group. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.870
_cell_length_b   4.870
_cell_length_c   9.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.191
_cell_formula_units_Z   4
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  0.500  0.500  0.328  1.0
  V  V1  1  0.500  0.500  0.672  1.0
  V  V2  1  0.000  0.000  0.172  1.0
  V  V3  1  0.000  0.000  0.828  1.0
  F  F4  1  0.681  0.319  0.500  1.0
  F  F5  1  0.712  0.288  0.820  1.0
  F  F6  1  0.712  0.288  0.180  1.0
  F  F7  1  0.788  0.788  0.680  1.0
  F  F8  1  0.788  0.788  0.320  1.0
  F  F9  1  0.819  0.819  0.000  1.0
  F  F10  1  0.181  0.181  0.000  1.0
  F  F11  1  0.212  0.212  0.320  1.0
  F  F12  1  0.212  0.212  0.680  1.0
  F  F13  1  0.288  0.712  0.180  1.0
  F  F14  1  0.288  0.712  0.820  1.0
  F  F15  1  0.319  0.681  0.500  1.0
[/CIF]
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