The structure described by V2(OF)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), one F(3), one F(4), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-31°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(2) and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.338
_cell_length_b   7.508
_cell_length_c   5.410
_cell_angle_alpha   91.185
_cell_angle_beta   89.859
_cell_angle_gamma   90.678
_symmetry_Int_Tables_number   1
_cell_volume   216.771
_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  0.471  0.494  0.530  1.0
  V  V1  1  0.477  0.024  0.467  1.0
  V  V2  1  0.983  0.525  0.039  1.0
  V  V3  1  0.979  0.995  0.962  1.0
  O  O4  1  0.785  0.528  0.276  1.0
  O  O5  1  0.791  0.969  0.720  1.0
  O  O6  1  0.565  0.241  0.496  1.0
  O  O7  1  0.231  0.028  0.279  1.0
  O  O8  1  0.232  0.466  0.723  1.0
  O  O9  1  0.062  0.741  0.002  1.0
  F  F10  1  0.946  0.253  0.003  1.0
  F  F11  1  0.720  0.960  0.221  1.0
  F  F12  1  0.733  0.528  0.785  1.0
  F  F13  1  0.449  0.753  0.502  1.0
  F  F14  1  0.281  0.464  0.216  1.0
  F  F15  1  0.297  0.030  0.778  1.0
[/CIF]
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The structure described by V2(OF)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), one F(3), one F(4), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-31°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(2) and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.338
_cell_length_b   7.508
_cell_length_c   5.410
_cell_angle_alpha   91.185
_cell_angle_beta   89.859
_cell_angle_gamma   90.678
_symmetry_Int_Tables_number   1
_cell_volume   216.771
_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  0.471  0.494  0.530  1.0
  V  V1  1  0.477  0.024  0.467  1.0
  V  V2  1  0.983  0.525  0.039  1.0
  V  V3  1  0.979  0.995  0.962  1.0
  O  O4  1  0.785  0.528  0.276  1.0
  O  O5  1  0.791  0.969  0.720  1.0
  O  O6  1  0.565  0.241  0.496  1.0
  O  O7  1  0.231  0.028  0.279  1.0
  O  O8  1  0.232  0.466  0.723  1.0
  O  O9  1  0.062  0.741  0.002  1.0
  F  F10  1  0.946  0.253  0.003  1.0
  F  F11  1  0.720  0.960  0.221  1.0
  F  F12  1  0.733  0.528  0.785  1.0
  F  F13  1  0.449  0.753  0.502  1.0
  F  F14  1  0.281  0.464  0.216  1.0
  F  F15  1  0.297  0.030  0.778  1.0
[/CIF]
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