The material structure described by MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form MgO2F3 trigonal bipyramids that share corners with two equivalent V(1)O2F4 octahedra, corners with four equivalent Mg(1)O2F3 trigonal bipyramids, and edges with four equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Mg(1)O2F3 trigonal bipyramids, edges with two equivalent V(1)O2F4 octahedra, and edges with four equivalent Mg(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. 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 trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.152
_cell_length_b   6.219
_cell_length_c   3.450
_cell_angle_alpha   57.295
_cell_angle_beta   89.996
_cell_angle_gamma   70.478
_symmetry_Int_Tables_number   1
_cell_volume   68.802
_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  0.637  0.766  0.717  1.0
  V  V1  1  0.979  0.081  0.912  1.0
  O  O2  1  0.538  0.963  0.025  1.0
  F  F3  1  0.841  0.359  0.142  1.0
  F  F4  1  0.123  0.793  0.691  1.0
[/CIF]
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The material structure described by MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form MgO2F3 trigonal bipyramids that share corners with two equivalent V(1)O2F4 octahedra, corners with four equivalent Mg(1)O2F3 trigonal bipyramids, and edges with four equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Mg(1)O2F3 trigonal bipyramids, edges with two equivalent V(1)O2F4 octahedra, and edges with four equivalent Mg(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. 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 trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgVOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.152
_cell_length_b   6.219
_cell_length_c   3.450
_cell_angle_alpha   57.295
_cell_angle_beta   89.996
_cell_angle_gamma   70.478
_symmetry_Int_Tables_number   1
_cell_volume   68.802
_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  0.637  0.766  0.717  1.0
  V  V1  1  0.979  0.081  0.912  1.0
  O  O2  1  0.538  0.963  0.025  1.0
  F  F3  1  0.841  0.359  0.142  1.0
  F  F4  1  0.123  0.793  0.691  1.0
[/CIF]
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