The crystal structure described by Mo3Cd2O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cd(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(4) and three equivalent O(1) atoms to form CdO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Cd site, Cd(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Cd(1)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mo(1), one Cd(1), and one Cd(2) atom to form OCd2Mo2 tetrahedra that share  a cornercorner with one O(4)CdMo3 tetrahedra, corners with two equivalent O(1)Cd2Mo2 tetrahedra,  an edgeedge with one O(4)CdMo3 tetrahedra, and edges with two equivalent O(1)Cd2Mo2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.408
_cell_length_c   10.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.867
_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
  Cd  Cd0  1  0.667  0.333  0.961  1.0
  Cd  Cd1  1  0.333  0.667  0.461  1.0
  Cd  Cd2  1  0.667  0.333  0.353  1.0
  Cd  Cd3  1  0.333  0.667  0.853  1.0
  Mo  Mo4  1  0.837  0.673  0.641  1.0
  Mo  Mo5  1  0.837  0.163  0.641  1.0
  Mo  Mo6  1  0.163  0.327  0.141  1.0
  Mo  Mo7  1  0.327  0.163  0.641  1.0
  Mo  Mo8  1  0.163  0.837  0.141  1.0
  Mo  Mo9  1  0.673  0.837  0.141  1.0
  O  O10  1  0.523  0.046  0.530  1.0
  O  O11  1  0.523  0.477  0.530  1.0
  O  O12  1  0.477  0.954  0.030  1.0
  O  O13  1  0.954  0.477  0.530  1.0
  O  O14  1  0.477  0.523  0.030  1.0
  O  O15  1  0.046  0.523  0.030  1.0
  O  O16  1  0.159  0.319  0.732  1.0
  O  O17  1  0.159  0.841  0.732  1.0
  O  O18  1  0.841  0.681  0.232  1.0
  O  O19  1  0.681  0.841  0.732  1.0
  O  O20  1  0.841  0.159  0.232  1.0
  O  O21  1  0.319  0.159  0.232  1.0
  O  O22  1  0.000  0.000  0.038  1.0
  O  O23  1  0.000  0.000  0.538  1.0
  O  O24  1  0.667  0.333  0.747  1.0
  O  O25  1  0.333  0.667  0.247  1.0
[/CIF]
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The crystal structure described by Mo3Cd2O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cd(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(4) and three equivalent O(1) atoms to form CdO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Cd site, Cd(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Cd(1)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mo(1), one Cd(1), and one Cd(2) atom to form OCd2Mo2 tetrahedra that share  a cornercorner with one O(4)CdMo3 tetrahedra, corners with two equivalent O(1)Cd2Mo2 tetrahedra,  an edgeedge with one O(4)CdMo3 tetrahedra, and edges with two equivalent O(1)Cd2Mo2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cd(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.408
_cell_length_c   10.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.867
_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
  Cd  Cd0  1  0.667  0.333  0.961  1.0
  Cd  Cd1  1  0.333  0.667  0.461  1.0
  Cd  Cd2  1  0.667  0.333  0.353  1.0
  Cd  Cd3  1  0.333  0.667  0.853  1.0
  Mo  Mo4  1  0.837  0.673  0.641  1.0
  Mo  Mo5  1  0.837  0.163  0.641  1.0
  Mo  Mo6  1  0.163  0.327  0.141  1.0
  Mo  Mo7  1  0.327  0.163  0.641  1.0
  Mo  Mo8  1  0.163  0.837  0.141  1.0
  Mo  Mo9  1  0.673  0.837  0.141  1.0
  O  O10  1  0.523  0.046  0.530  1.0
  O  O11  1  0.523  0.477  0.530  1.0
  O  O12  1  0.477  0.954  0.030  1.0
  O  O13  1  0.954  0.477  0.530  1.0
  O  O14  1  0.477  0.523  0.030  1.0
  O  O15  1  0.046  0.523  0.030  1.0
  O  O16  1  0.159  0.319  0.732  1.0
  O  O17  1  0.159  0.841  0.732  1.0
  O  O18  1  0.841  0.681  0.232  1.0
  O  O19  1  0.681  0.841  0.732  1.0
  O  O20  1  0.841  0.159  0.232  1.0
  O  O21  1  0.319  0.159  0.232  1.0
  O  O22  1  0.000  0.000  0.038  1.0
  O  O23  1  0.000  0.000  0.538  1.0
  O  O24  1  0.667  0.333  0.747  1.0
  O  O25  1  0.333  0.667  0.247  1.0
[/CIF]
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