The material structure described by MgW2Fe2(O4Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted MgCl2O4 octahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and faces with two equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 60°. W(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form WO4 tetrahedra that share corners with two equivalent Mg(1)Cl2O4 octahedra and corners with four equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share  a cornercorner with one Mg(1)Cl2O4 octahedra, corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and  a faceface with one Mg(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 11-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(1) atom. Cl(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe2W2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   7.139
_cell_length_c   7.139
_cell_angle_alpha   90.280
_cell_angle_beta   91.137
_cell_angle_gamma   88.863
_symmetry_Int_Tables_number   1
_cell_volume   264.760
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.190  0.251  0.249  1.0
  Fe  Fe2  1  0.810  0.749  0.751  1.0
  W  W3  1  0.000  0.241  0.741  1.0
  W  W4  1  0.000  0.759  0.259  1.0
  Cl  Cl5  1  0.308  0.773  0.727  1.0
  Cl  Cl6  1  0.692  0.227  0.273  1.0
  O  O7  1  0.237  0.216  0.554  1.0
  O  O8  1  0.237  0.946  0.284  1.0
  O  O9  1  0.763  0.054  0.716  1.0
  O  O10  1  0.837  0.465  0.724  1.0
  O  O11  1  0.763  0.784  0.446  1.0
  O  O12  1  0.163  0.535  0.276  1.0
  O  O13  1  0.163  0.224  0.965  1.0
  O  O14  1  0.837  0.776  0.035  1.0
[/CIF]
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The material structure described by MgW2Fe2(O4Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted MgCl2O4 octahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and faces with two equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 60°. W(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form WO4 tetrahedra that share corners with two equivalent Mg(1)Cl2O4 octahedra and corners with four equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share  a cornercorner with one Mg(1)Cl2O4 octahedra, corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and  a faceface with one Mg(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 11-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(1) atom. Cl(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe2W2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   7.139
_cell_length_c   7.139
_cell_angle_alpha   90.280
_cell_angle_beta   91.137
_cell_angle_gamma   88.863
_symmetry_Int_Tables_number   1
_cell_volume   264.760
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.190  0.251  0.249  1.0
  Fe  Fe2  1  0.810  0.749  0.751  1.0
  W  W3  1  0.000  0.241  0.741  1.0
  W  W4  1  0.000  0.759  0.259  1.0
  Cl  Cl5  1  0.308  0.773  0.727  1.0
  Cl  Cl6  1  0.692  0.227  0.273  1.0
  O  O7  1  0.237  0.216  0.554  1.0
  O  O8  1  0.237  0.946  0.284  1.0
  O  O9  1  0.763  0.054  0.716  1.0
  O  O10  1  0.837  0.465  0.724  1.0
  O  O11  1  0.763  0.784  0.446  1.0
  O  O12  1  0.163  0.535  0.276  1.0
  O  O13  1  0.163  0.224  0.965  1.0
  O  O14  1  0.837  0.776  0.035  1.0
[/CIF]
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