The material structure described by MgCd2(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Cd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_MgCd2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.914
_cell_length_c   5.928
_cell_angle_alpha   54.072
_cell_angle_beta   54.042
_cell_angle_gamma   54.125
_symmetry_Int_Tables_number   1
_cell_volume   126.520
_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  0.000  0.000  1.0
  Cd  Cd1  1  0.377  0.377  0.377  1.0
  Cd  Cd2  1  0.623  0.623  0.623  1.0
  Co  Co3  1  0.177  0.176  0.176  1.0
  Co  Co4  1  0.823  0.824  0.824  1.0
  O  O5  1  0.030  0.818  0.413  1.0
  O  O6  1  0.585  0.970  0.183  1.0
  O  O7  1  0.182  0.585  0.970  1.0
  O  O8  1  0.818  0.415  0.030  1.0
  O  O9  1  0.415  0.030  0.817  1.0
  O  O10  1  0.970  0.182  0.587  1.0
[/CIF]
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The material structure described by MgCd2(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Cd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_MgCd2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.914
_cell_length_c   5.928
_cell_angle_alpha   54.072
_cell_angle_beta   54.042
_cell_angle_gamma   54.125
_symmetry_Int_Tables_number   1
_cell_volume   126.520
_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  0.000  0.000  1.0
  Cd  Cd1  1  0.377  0.377  0.377  1.0
  Cd  Cd2  1  0.623  0.623  0.623  1.0
  Co  Co3  1  0.177  0.176  0.176  1.0
  Co  Co4  1  0.823  0.824  0.824  1.0
  O  O5  1  0.030  0.818  0.413  1.0
  O  O6  1  0.585  0.970  0.183  1.0
  O  O7  1  0.182  0.585  0.970  1.0
  O  O8  1  0.818  0.415  0.030  1.0
  O  O9  1  0.415  0.030  0.817  1.0
  O  O10  1  0.970  0.182  0.587  1.0
[/CIF]
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