The material described by Mg(WO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent W(1)O4 trigonal pyramids, and edges with six equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted WO4 trigonal pyramids that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-71°. In the second W site, W(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent W(1)O4 trigonal pyramids, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent W(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one W(1), and two equivalent W(2) atoms to form distorted OMgW3 tetrahedra that share  a cornercorner with one O(2)W4 tetrahedra, corners with two equivalent O(1)MgW3 tetrahedra,  an edgeedge with one O(2)W4 tetrahedra, and edges with two equivalent O(1)MgW3 tetrahedra. In the second O site, O(2) is bonded to one W(1) and three equivalent W(2) atoms to form a mixture of distorted corner and edge-sharing OW4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_Mg(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   55.374
_cell_angle_beta   55.374
_cell_angle_gamma   55.374
_symmetry_Int_Tables_number   1
_cell_volume   172.078
_cell_formula_units_Z   2
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  0.004  0.004  0.004  1.0
  Mg  Mg1  1  0.619  0.619  0.619  1.0
  W  W2  1  0.265  0.265  0.265  1.0
  W  W3  1  0.646  0.646  0.084  1.0
  W  W4  1  0.084  0.646  0.646  1.0
  W  W5  1  0.646  0.084  0.646  1.0
  O  O6  1  0.375  0.850  0.375  1.0
  O  O7  1  0.850  0.375  0.375  1.0
  O  O8  1  0.375  0.375  0.850  1.0
  O  O9  1  0.393  0.393  0.393  1.0
  O  O10  1  0.885  0.885  0.885  1.0
  O  O11  1  0.857  0.857  0.394  1.0
  O  O12  1  0.394  0.857  0.857  1.0
  O  O13  1  0.857  0.394  0.857  1.0
[/CIF]
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The material described by Mg(WO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent W(1)O4 trigonal pyramids, and edges with six equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted WO4 trigonal pyramids that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-71°. In the second W site, W(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent W(1)O4 trigonal pyramids, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent W(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one W(1), and two equivalent W(2) atoms to form distorted OMgW3 tetrahedra that share  a cornercorner with one O(2)W4 tetrahedra, corners with two equivalent O(1)MgW3 tetrahedra,  an edgeedge with one O(2)W4 tetrahedra, and edges with two equivalent O(1)MgW3 tetrahedra. In the second O site, O(2) is bonded to one W(1) and three equivalent W(2) atoms to form a mixture of distorted corner and edge-sharing OW4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_Mg(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   55.374
_cell_angle_beta   55.374
_cell_angle_gamma   55.374
_symmetry_Int_Tables_number   1
_cell_volume   172.078
_cell_formula_units_Z   2
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  0.004  0.004  0.004  1.0
  Mg  Mg1  1  0.619  0.619  0.619  1.0
  W  W2  1  0.265  0.265  0.265  1.0
  W  W3  1  0.646  0.646  0.084  1.0
  W  W4  1  0.084  0.646  0.646  1.0
  W  W5  1  0.646  0.084  0.646  1.0
  O  O6  1  0.375  0.850  0.375  1.0
  O  O7  1  0.850  0.375  0.375  1.0
  O  O8  1  0.375  0.375  0.850  1.0
  O  O9  1  0.393  0.393  0.393  1.0
  O  O10  1  0.885  0.885  0.885  1.0
  O  O11  1  0.857  0.857  0.394  1.0
  O  O12  1  0.394  0.857  0.857  1.0
  O  O13  1  0.857  0.394  0.857  1.0
[/CIF]
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