The material described by MgCd2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cd(2)O5 trigonal bipyramids and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cd(2)O5 trigonal bipyramids and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(2), one Cd(1), and one Cd(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Cd(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cd(2) atom. is represented by the CIF card [CIF]
data_MgCd2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   5.534
_cell_length_c   6.259
_cell_angle_alpha   95.821
_cell_angle_beta   79.077
_cell_angle_gamma   100.629
_symmetry_Int_Tables_number   1
_cell_volume   180.888
_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  0.327  0.078  0.335  1.0
  Cd  Cd1  1  0.546  0.219  0.753  1.0
  Cd  Cd2  1  0.569  0.687  0.423  1.0
  W  W3  1  0.977  0.281  0.124  1.0
  W  W4  1  0.010  0.743  0.849  1.0
  O  O5  1  0.692  0.118  0.351  1.0
  O  O6  1  0.213  0.393  0.314  1.0
  O  O7  1  0.268  0.905  0.607  1.0
  O  O8  1  0.774  0.594  0.672  1.0
  O  O9  1  0.817  0.055  0.900  1.0
  O  O10  1  0.204  0.470  0.864  1.0
  O  O11  1  0.185  0.975  0.067  1.0
  O  O12  1  0.791  0.558  0.116  1.0
[/CIF]
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The material described by MgCd2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cd(2)O5 trigonal bipyramids and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cd(2)O5 trigonal bipyramids and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(2), one Cd(1), and one Cd(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Cd(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cd(2) atom. is represented by the CIF card [CIF]
data_MgCd2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   5.534
_cell_length_c   6.259
_cell_angle_alpha   95.821
_cell_angle_beta   79.077
_cell_angle_gamma   100.629
_symmetry_Int_Tables_number   1
_cell_volume   180.888
_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  0.327  0.078  0.335  1.0
  Cd  Cd1  1  0.546  0.219  0.753  1.0
  Cd  Cd2  1  0.569  0.687  0.423  1.0
  W  W3  1  0.977  0.281  0.124  1.0
  W  W4  1  0.010  0.743  0.849  1.0
  O  O5  1  0.692  0.118  0.351  1.0
  O  O6  1  0.213  0.393  0.314  1.0
  O  O7  1  0.268  0.905  0.607  1.0
  O  O8  1  0.774  0.594  0.672  1.0
  O  O9  1  0.817  0.055  0.900  1.0
  O  O10  1  0.204  0.470  0.864  1.0
  O  O11  1  0.185  0.975  0.067  1.0
  O  O12  1  0.791  0.558  0.116  1.0
[/CIF]
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