The material structure described by CuCd(VO4) is Esseneite-like structured and crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cd(1) atom. In the second O site, O(2) is bonded to one V(1), one Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd2Cu tetrahedra. is represented by the CIF card [CIF]
data_VCdCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.518
_cell_length_c   6.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.026
_symmetry_Int_Tables_number   1
_cell_volume   183.944
_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
  V  V0  1  0.366  0.634  0.250  1.0
  V  V1  1  0.634  0.366  0.750  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.694  0.306  0.250  1.0
  Cu  Cu5  1  0.306  0.694  0.750  1.0
  O  O6  1  0.259  0.741  0.031  1.0
  O  O7  1  0.741  0.259  0.531  1.0
  O  O8  1  0.741  0.259  0.969  1.0
  O  O9  1  0.259  0.741  0.469  1.0
  O  O10  1  0.248  0.284  0.250  1.0
  O  O11  1  0.752  0.716  0.750  1.0
  O  O12  1  0.716  0.752  0.250  1.0
  O  O13  1  0.284  0.248  0.750  1.0
[/CIF]
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The material structure described by CuCd(VO4) is Esseneite-like structured and crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cd(1) atom. In the second O site, O(2) is bonded to one V(1), one Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd2Cu tetrahedra. is represented by the CIF card [CIF]
data_VCdCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.518
_cell_length_c   6.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.026
_symmetry_Int_Tables_number   1
_cell_volume   183.944
_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
  V  V0  1  0.366  0.634  0.250  1.0
  V  V1  1  0.634  0.366  0.750  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.694  0.306  0.250  1.0
  Cu  Cu5  1  0.306  0.694  0.750  1.0
  O  O6  1  0.259  0.741  0.031  1.0
  O  O7  1  0.741  0.259  0.531  1.0
  O  O8  1  0.741  0.259  0.969  1.0
  O  O9  1  0.259  0.741  0.469  1.0
  O  O10  1  0.248  0.284  0.250  1.0
  O  O11  1  0.752  0.716  0.750  1.0
  O  O12  1  0.716  0.752  0.250  1.0
  O  O13  1  0.284  0.248  0.750  1.0
[/CIF]
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