The structure described by MgW2(OF)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(2) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one W(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one W(2) atom. is represented by the CIF file [CIF]
data_MgW2(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.781
_cell_length_b   3.855
_cell_length_c   6.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   201.320
_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  0.510  0.564  0.500  1.0
  W  W1  1  0.013  0.993  0.000  1.0
  W  W2  1  0.513  0.993  0.000  1.0
  O  O3  1  0.013  0.495  0.000  1.0
  O  O4  1  0.256  0.994  0.000  1.0
  O  O5  1  0.512  0.493  0.000  1.0
  O  O6  1  0.770  0.993  0.000  1.0
  F  F7  1  0.014  0.999  0.288  1.0
  F  F8  1  0.014  0.999  0.712  1.0
  F  F9  1  0.512  0.988  0.322  1.0
  F  F10  1  0.512  0.988  0.678  1.0
[/CIF]
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The structure described by MgW2(OF)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(2) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one W(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one W(2) atom. is represented by the CIF file [CIF]
data_MgW2(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.781
_cell_length_b   3.855
_cell_length_c   6.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   201.320
_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  0.510  0.564  0.500  1.0
  W  W1  1  0.013  0.993  0.000  1.0
  W  W2  1  0.513  0.993  0.000  1.0
  O  O3  1  0.013  0.495  0.000  1.0
  O  O4  1  0.256  0.994  0.000  1.0
  O  O5  1  0.512  0.493  0.000  1.0
  O  O6  1  0.770  0.993  0.000  1.0
  F  F7  1  0.014  0.999  0.288  1.0
  F  F8  1  0.014  0.999  0.712  1.0
  F  F9  1  0.512  0.988  0.322  1.0
  F  F10  1  0.512  0.988  0.678  1.0
[/CIF]
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