The crystal structure described by Cd3TeO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CdO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cd(2), two equivalent Cd(1), and one Te(1) atom to form distorted corner-sharing OCd3Te trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cd(2), three equivalent Cd(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Cd(2), two equivalent Cd(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.674
_cell_length_c   8.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.048
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.333
_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  0.013  0.546  0.741  1.0
  Cd  Cd1  1  0.487  0.046  0.759  1.0
  Cd  Cd2  1  0.987  0.454  0.259  1.0
  Cd  Cd3  1  0.513  0.954  0.241  1.0
  Cd  Cd4  1  0.500  0.500  0.000  1.0
  Cd  Cd5  1  0.000  0.000  0.500  1.0
  Te  Te6  1  0.500  0.500  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.667  0.223  0.419  1.0
  O  O9  1  0.833  0.723  0.081  1.0
  O  O10  1  0.333  0.777  0.581  1.0
  O  O11  1  0.167  0.277  0.919  1.0
  O  O12  1  0.212  0.323  0.549  1.0
  O  O13  1  0.288  0.823  0.951  1.0
  O  O14  1  0.788  0.677  0.451  1.0
  O  O15  1  0.712  0.177  0.049  1.0
  O  O16  1  0.119  0.073  0.222  1.0
  O  O17  1  0.381  0.573  0.278  1.0
  O  O18  1  0.881  0.927  0.778  1.0
  O  O19  1  0.619  0.427  0.722  1.0
[/CIF]
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The crystal structure described by Cd3TeO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CdO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cd(2), two equivalent Cd(1), and one Te(1) atom to form distorted corner-sharing OCd3Te trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cd(2), three equivalent Cd(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Cd(2), two equivalent Cd(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.674
_cell_length_c   8.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.048
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.333
_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  0.013  0.546  0.741  1.0
  Cd  Cd1  1  0.487  0.046  0.759  1.0
  Cd  Cd2  1  0.987  0.454  0.259  1.0
  Cd  Cd3  1  0.513  0.954  0.241  1.0
  Cd  Cd4  1  0.500  0.500  0.000  1.0
  Cd  Cd5  1  0.000  0.000  0.500  1.0
  Te  Te6  1  0.500  0.500  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.667  0.223  0.419  1.0
  O  O9  1  0.833  0.723  0.081  1.0
  O  O10  1  0.333  0.777  0.581  1.0
  O  O11  1  0.167  0.277  0.919  1.0
  O  O12  1  0.212  0.323  0.549  1.0
  O  O13  1  0.288  0.823  0.951  1.0
  O  O14  1  0.788  0.677  0.451  1.0
  O  O15  1  0.712  0.177  0.049  1.0
  O  O16  1  0.119  0.073  0.222  1.0
  O  O17  1  0.381  0.573  0.278  1.0
  O  O18  1  0.881  0.927  0.778  1.0
  O  O19  1  0.619  0.427  0.722  1.0
[/CIF]
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