The crystal structure described by ThCd(MoO4)3 crystallizes in the hexagonal P6_3/m space group. Th(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. Mo(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Cd(1) is bonded to six equivalent O(2) atoms to form distorted CdO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent Cd(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_ThCd(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.058
_cell_length_b   10.058
_cell_length_c   6.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.414
_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
  Th  Th0  1  0.667  0.333  0.750  1.0
  Th  Th1  1  0.333  0.667  0.250  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.612  0.709  0.750  1.0
  Mo  Mo5  1  0.903  0.612  0.250  1.0
  Mo  Mo6  1  0.291  0.903  0.750  1.0
  Mo  Mo7  1  0.097  0.388  0.750  1.0
  Mo  Mo8  1  0.388  0.291  0.250  1.0
  Mo  Mo9  1  0.709  0.097  0.250  1.0
  O  O10  1  0.212  0.472  0.976  1.0
  O  O11  1  0.975  0.819  0.250  1.0
  O  O12  1  0.472  0.259  0.024  1.0
  O  O13  1  0.741  0.212  0.024  1.0
  O  O14  1  0.741  0.212  0.476  1.0
  O  O15  1  0.430  0.485  0.250  1.0
  O  O16  1  0.025  0.181  0.750  1.0
  O  O17  1  0.155  0.975  0.750  1.0
  O  O18  1  0.528  0.741  0.524  1.0
  O  O19  1  0.259  0.788  0.976  1.0
  O  O20  1  0.259  0.788  0.524  1.0
  O  O21  1  0.528  0.741  0.976  1.0
  O  O22  1  0.944  0.430  0.750  1.0
  O  O23  1  0.181  0.155  0.250  1.0
  O  O24  1  0.056  0.570  0.250  1.0
  O  O25  1  0.485  0.056  0.750  1.0
  O  O26  1  0.515  0.944  0.250  1.0
  O  O27  1  0.788  0.528  0.476  1.0
  O  O28  1  0.788  0.528  0.024  1.0
  O  O29  1  0.570  0.515  0.750  1.0
  O  O30  1  0.819  0.845  0.750  1.0
  O  O31  1  0.212  0.472  0.524  1.0
  O  O32  1  0.845  0.025  0.250  1.0
  O  O33  1  0.472  0.259  0.476  1.0
[/CIF]
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The crystal structure described by ThCd(MoO4)3 crystallizes in the hexagonal P6_3/m space group. Th(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. Mo(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Cd(1) is bonded to six equivalent O(2) atoms to form distorted CdO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent Cd(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_ThCd(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.058
_cell_length_b   10.058
_cell_length_c   6.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.414
_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
  Th  Th0  1  0.667  0.333  0.750  1.0
  Th  Th1  1  0.333  0.667  0.250  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.612  0.709  0.750  1.0
  Mo  Mo5  1  0.903  0.612  0.250  1.0
  Mo  Mo6  1  0.291  0.903  0.750  1.0
  Mo  Mo7  1  0.097  0.388  0.750  1.0
  Mo  Mo8  1  0.388  0.291  0.250  1.0
  Mo  Mo9  1  0.709  0.097  0.250  1.0
  O  O10  1  0.212  0.472  0.976  1.0
  O  O11  1  0.975  0.819  0.250  1.0
  O  O12  1  0.472  0.259  0.024  1.0
  O  O13  1  0.741  0.212  0.024  1.0
  O  O14  1  0.741  0.212  0.476  1.0
  O  O15  1  0.430  0.485  0.250  1.0
  O  O16  1  0.025  0.181  0.750  1.0
  O  O17  1  0.155  0.975  0.750  1.0
  O  O18  1  0.528  0.741  0.524  1.0
  O  O19  1  0.259  0.788  0.976  1.0
  O  O20  1  0.259  0.788  0.524  1.0
  O  O21  1  0.528  0.741  0.976  1.0
  O  O22  1  0.944  0.430  0.750  1.0
  O  O23  1  0.181  0.155  0.250  1.0
  O  O24  1  0.056  0.570  0.250  1.0
  O  O25  1  0.485  0.056  0.750  1.0
  O  O26  1  0.515  0.944  0.250  1.0
  O  O27  1  0.788  0.528  0.476  1.0
  O  O28  1  0.788  0.528  0.024  1.0
  O  O29  1  0.570  0.515  0.750  1.0
  O  O30  1  0.819  0.845  0.750  1.0
  O  O31  1  0.212  0.472  0.524  1.0
  O  O32  1  0.845  0.025  0.250  1.0
  O  O33  1  0.472  0.259  0.476  1.0
[/CIF]
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