The compound described by MgW2Cu2(O3F2)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), four equivalent O(2), and two equivalent F(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 21°. Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent F(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one W(2) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2W2(O3F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.866
_cell_length_b   5.686
_cell_length_c   10.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.549
_symmetry_Int_Tables_number   1
_cell_volume   210.569
_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  0.594  0.587  0.250  1.0
  Cu  Cu1  1  0.033  0.553  0.539  1.0
  Cu  Cu2  1  0.033  0.553  0.961  1.0
  W  W3  1  0.250  0.990  0.250  1.0
  W  W4  1  0.755  0.018  0.750  1.0
  O  O5  1  0.864  0.238  0.616  1.0
  O  O6  1  0.105  0.733  0.377  1.0
  O  O7  1  0.105  0.733  0.123  1.0
  O  O8  1  0.755  0.006  0.250  1.0
  O  O9  1  0.222  0.952  0.750  1.0
  O  O10  1  0.864  0.238  0.884  1.0
  F  F11  1  0.603  0.715  0.886  1.0
  F  F12  1  0.402  0.302  0.130  1.0
  F  F13  1  0.402  0.302  0.370  1.0
  F  F14  1  0.603  0.715  0.614  1.0
[/CIF]
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The compound described by MgW2Cu2(O3F2)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), four equivalent O(2), and two equivalent F(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 21°. Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent F(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one W(2) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2W2(O3F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.866
_cell_length_b   5.686
_cell_length_c   10.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.549
_symmetry_Int_Tables_number   1
_cell_volume   210.569
_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  0.594  0.587  0.250  1.0
  Cu  Cu1  1  0.033  0.553  0.539  1.0
  Cu  Cu2  1  0.033  0.553  0.961  1.0
  W  W3  1  0.250  0.990  0.250  1.0
  W  W4  1  0.755  0.018  0.750  1.0
  O  O5  1  0.864  0.238  0.616  1.0
  O  O6  1  0.105  0.733  0.377  1.0
  O  O7  1  0.105  0.733  0.123  1.0
  O  O8  1  0.755  0.006  0.250  1.0
  O  O9  1  0.222  0.952  0.750  1.0
  O  O10  1  0.864  0.238  0.884  1.0
  F  F11  1  0.603  0.715  0.886  1.0
  F  F12  1  0.402  0.302  0.130  1.0
  F  F13  1  0.402  0.302  0.370  1.0
  F  F14  1  0.603  0.715  0.614  1.0
[/CIF]
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