The compound described by MgCr2Cd2O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CrO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with three equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-65°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. There are three 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 Cr(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cd(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_MgCr2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.400
_cell_length_b   5.400
_cell_length_c   6.895
_cell_angle_alpha   86.714
_cell_angle_beta   93.286
_cell_angle_gamma   111.508
_symmetry_Int_Tables_number   1
_cell_volume   186.631
_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
  Cr  Cr1  1  0.648  0.352  0.209  1.0
  Cr  Cr2  1  0.352  0.648  0.791  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.697  0.750  0.744  1.0
  O  O6  1  0.303  0.250  0.256  1.0
  O  O7  1  0.750  0.697  0.256  1.0
  O  O8  1  0.250  0.303  0.744  1.0
  O  O9  1  0.243  0.757  0.975  1.0
  O  O10  1  0.747  0.253  0.435  1.0
  O  O11  1  0.757  0.243  0.025  1.0
  O  O12  1  0.253  0.747  0.565  1.0
[/CIF]
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The compound described by MgCr2Cd2O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CrO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with three equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-65°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cd(1)O6 octahedra. There are three 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 Cr(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cd(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_MgCr2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.400
_cell_length_b   5.400
_cell_length_c   6.895
_cell_angle_alpha   86.714
_cell_angle_beta   93.286
_cell_angle_gamma   111.508
_symmetry_Int_Tables_number   1
_cell_volume   186.631
_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
  Cr  Cr1  1  0.648  0.352  0.209  1.0
  Cr  Cr2  1  0.352  0.648  0.791  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.697  0.750  0.744  1.0
  O  O6  1  0.303  0.250  0.256  1.0
  O  O7  1  0.750  0.697  0.256  1.0
  O  O8  1  0.250  0.303  0.744  1.0
  O  O9  1  0.243  0.757  0.975  1.0
  O  O10  1  0.747  0.253  0.435  1.0
  O  O11  1  0.757  0.243  0.025  1.0
  O  O12  1  0.253  0.747  0.565  1.0
[/CIF]
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