The crystal structure described by MgV2Cd2(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing CdO6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted edge-sharing CdO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one Cu(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cd(1), and one Cd(2) atom. is represented by the CIF file [CIF]
data_MgV2Cd2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.837
_cell_length_c   6.723
_cell_angle_alpha   90.437
_cell_angle_beta   89.563
_cell_angle_gamma   118.237
_symmetry_Int_Tables_number   1
_cell_volume   201.806
_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  0.500  0.500  1.0
  V  V1  1  0.336  0.664  0.216  1.0
  V  V2  1  0.664  0.336  0.784  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.739  0.261  0.265  1.0
  Cu  Cu6  1  0.261  0.739  0.735  1.0
  O  O7  1  0.231  0.769  0.004  1.0
  O  O8  1  0.729  0.271  0.537  1.0
  O  O9  1  0.769  0.231  0.996  1.0
  O  O10  1  0.271  0.729  0.463  1.0
  O  O11  1  0.245  0.305  0.263  1.0
  O  O12  1  0.755  0.695  0.737  1.0
  O  O13  1  0.695  0.755  0.263  1.0
  O  O14  1  0.305  0.245  0.737  1.0
[/CIF]
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The crystal structure described by MgV2Cd2(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing CdO6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted edge-sharing CdO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one Cu(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cd(1), and one Cd(2) atom. is represented by the CIF file [CIF]
data_MgV2Cd2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.837
_cell_length_c   6.723
_cell_angle_alpha   90.437
_cell_angle_beta   89.563
_cell_angle_gamma   118.237
_symmetry_Int_Tables_number   1
_cell_volume   201.806
_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  0.500  0.500  1.0
  V  V1  1  0.336  0.664  0.216  1.0
  V  V2  1  0.664  0.336  0.784  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.739  0.261  0.265  1.0
  Cu  Cu6  1  0.261  0.739  0.735  1.0
  O  O7  1  0.231  0.769  0.004  1.0
  O  O8  1  0.729  0.271  0.537  1.0
  O  O9  1  0.769  0.231  0.996  1.0
  O  O10  1  0.271  0.729  0.463  1.0
  O  O11  1  0.245  0.305  0.263  1.0
  O  O12  1  0.755  0.695  0.737  1.0
  O  O13  1  0.695  0.755  0.263  1.0
  O  O14  1  0.305  0.245  0.737  1.0
[/CIF]
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