The material described by MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with five equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent V(1)O2F4 octahedra, and edges with five equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.124
_cell_length_b   5.499
_cell_length_c   3.162
_cell_angle_alpha   72.910
_cell_angle_beta   89.999
_cell_angle_gamma   68.068
_symmetry_Int_Tables_number   1
_cell_volume   63.086
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.329  0.344  0.327  1.0
  V  V1  1  0.001  0.999  0.004  1.0
  O  O2  1  0.452  0.097  0.953  1.0
  F  F3  1  0.841  0.320  0.340  1.0
  F  F4  1  0.162  0.678  0.667  1.0
[/CIF]
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The material described by MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with five equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent V(1)O2F4 octahedra, and edges with five equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.124
_cell_length_b   5.499
_cell_length_c   3.162
_cell_angle_alpha   72.910
_cell_angle_beta   89.999
_cell_angle_gamma   68.068
_symmetry_Int_Tables_number   1
_cell_volume   63.086
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.329  0.344  0.327  1.0
  V  V1  1  0.001  0.999  0.004  1.0
  O  O2  1  0.452  0.097  0.953  1.0
  F  F3  1  0.841  0.320  0.340  1.0
  F  F4  1  0.162  0.678  0.667  1.0
[/CIF]
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