The compound described by MgW4O9 crystallizes in the tetragonal P4/n space group. Mg(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. W(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing WO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to four equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgW4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   6.873
_cell_length_c   6.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.697
_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  0.000  0.500  0.500  1.0
  O  O1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.000  0.344  0.218  1.0
  O  O3  1  0.000  0.782  0.344  1.0
  O  O4  1  0.000  0.218  0.656  1.0
  O  O5  1  0.000  0.656  0.782  1.0
  O  O6  1  0.500  0.610  0.145  1.0
  O  O7  1  0.500  0.855  0.610  1.0
  O  O8  1  0.500  0.145  0.390  1.0
  O  O9  1  0.500  0.390  0.855  1.0
  W  W10  1  0.500  0.134  0.695  1.0
  W  W11  1  0.500  0.695  0.866  1.0
  W  W12  1  0.500  0.866  0.305  1.0
  W  W13  1  0.500  0.305  0.134  1.0
[/CIF]
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The compound described by MgW4O9 crystallizes in the tetragonal P4/n space group. Mg(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. W(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing WO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to four equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgW4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   6.873
_cell_length_c   6.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.697
_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  0.000  0.500  0.500  1.0
  O  O1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.000  0.344  0.218  1.0
  O  O3  1  0.000  0.782  0.344  1.0
  O  O4  1  0.000  0.218  0.656  1.0
  O  O5  1  0.000  0.656  0.782  1.0
  O  O6  1  0.500  0.610  0.145  1.0
  O  O7  1  0.500  0.855  0.610  1.0
  O  O8  1  0.500  0.145  0.390  1.0
  O  O9  1  0.500  0.390  0.855  1.0
  W  W10  1  0.500  0.134  0.695  1.0
  W  W11  1  0.500  0.695  0.866  1.0
  W  W12  1  0.500  0.866  0.305  1.0
  W  W13  1  0.500  0.305  0.134  1.0
[/CIF]
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