The material described by MgCd2(CoO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cd(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(2), one Cd(1), and one Cd(2) atom to form a mixture of distorted corner and edge-sharing OMgCd2Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.776
_cell_length_c   5.780
_cell_angle_alpha   55.182
_cell_angle_beta   55.138
_cell_angle_gamma   55.149
_symmetry_Int_Tables_number   1
_cell_volume   121.169
_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  0.798  0.799  0.798  1.0
  Cd  Cd1  1  0.350  0.351  0.350  1.0
  Cd  Cd2  1  0.584  0.584  0.583  1.0
  Co  Co3  1  0.151  0.152  0.151  1.0
  Co  Co4  1  0.977  0.978  0.977  1.0
  O  O5  1  0.024  0.813  0.352  1.0
  O  O6  1  0.570  0.951  0.160  1.0
  O  O7  1  0.161  0.571  0.949  1.0
  O  O8  1  0.812  0.353  0.025  1.0
  O  O9  1  0.352  0.025  0.813  1.0
  O  O10  1  0.950  0.161  0.571  1.0
[/CIF]
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The material described by MgCd2(CoO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cd(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(2), one Cd(1), and one Cd(2) atom to form a mixture of distorted corner and edge-sharing OMgCd2Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.776
_cell_length_c   5.780
_cell_angle_alpha   55.182
_cell_angle_beta   55.138
_cell_angle_gamma   55.149
_symmetry_Int_Tables_number   1
_cell_volume   121.169
_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  0.798  0.799  0.798  1.0
  Cd  Cd1  1  0.350  0.351  0.350  1.0
  Cd  Cd2  1  0.584  0.584  0.583  1.0
  Co  Co3  1  0.151  0.152  0.151  1.0
  Co  Co4  1  0.977  0.978  0.977  1.0
  O  O5  1  0.024  0.813  0.352  1.0
  O  O6  1  0.570  0.951  0.160  1.0
  O  O7  1  0.161  0.571  0.949  1.0
  O  O8  1  0.812  0.353  0.025  1.0
  O  O9  1  0.352  0.025  0.813  1.0
  O  O10  1  0.950  0.161  0.571  1.0
[/CIF]
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