The material structure described by MgW2(OCl)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent Cl(1) atoms to form distorted corner-sharing WCl2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second W site, W(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent Cl(2) atoms to form distorted corner-sharing WCl2O4 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 two equivalent W(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one W(2) atom. 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 Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgW2(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.838
_cell_length_b   7.952
_cell_length_c   7.734
_cell_angle_alpha   90.000
_cell_angle_beta   90.079
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.058
_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  0.496  0.500  0.702  1.0
  W  W1  1  0.001  0.000  0.468  1.0
  W  W2  1  0.999  0.000  0.964  1.0
  Cl  Cl3  1  0.002  0.684  0.500  1.0
  Cl  Cl4  1  0.002  0.316  0.500  1.0
  Cl  Cl5  1  0.999  0.686  0.937  1.0
  Cl  Cl6  1  0.999  0.314  0.937  1.0
  O  O7  1  0.501  0.000  0.464  1.0
  O  O8  1  0.499  0.000  0.965  1.0
  O  O9  1  0.000  0.000  0.721  1.0
  O  O10  1  0.000  0.000  0.208  1.0
[/CIF]
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The material structure described by MgW2(OCl)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent Cl(1) atoms to form distorted corner-sharing WCl2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second W site, W(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent Cl(2) atoms to form distorted corner-sharing WCl2O4 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 two equivalent W(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one W(2) atom. 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 Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgW2(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.838
_cell_length_b   7.952
_cell_length_c   7.734
_cell_angle_alpha   90.000
_cell_angle_beta   90.079
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.058
_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  0.496  0.500  0.702  1.0
  W  W1  1  0.001  0.000  0.468  1.0
  W  W2  1  0.999  0.000  0.964  1.0
  Cl  Cl3  1  0.002  0.684  0.500  1.0
  Cl  Cl4  1  0.002  0.316  0.500  1.0
  Cl  Cl5  1  0.999  0.686  0.937  1.0
  Cl  Cl6  1  0.999  0.314  0.937  1.0
  O  O7  1  0.501  0.000  0.464  1.0
  O  O8  1  0.499  0.000  0.965  1.0
  O  O9  1  0.000  0.000  0.721  1.0
  O  O10  1  0.000  0.000  0.208  1.0
[/CIF]
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