The compound described by CdTiO3 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to two equivalent O(2) and three equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Cd(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Cd(2) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_TiCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   7.068
_cell_length_c   9.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.347
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.965  0.751  0.290  1.0
  Ti  Ti1  1  0.035  0.251  0.710  1.0
  Ti  Ti2  1  0.035  0.251  0.290  1.0
  Ti  Ti3  1  0.965  0.751  0.710  1.0
  Cd  Cd4  1  0.682  0.038  0.000  1.0
  Cd  Cd5  1  0.493  0.990  0.500  1.0
  Cd  Cd6  1  0.318  0.538  0.000  1.0
  Cd  Cd7  1  0.507  0.490  0.500  1.0
  O  O8  1  0.778  0.725  0.000  1.0
  O  O9  1  0.993  0.989  0.225  1.0
  O  O10  1  0.489  0.719  0.674  1.0
  O  O11  1  0.511  0.219  0.674  1.0
  O  O12  1  0.489  0.719  0.326  1.0
  O  O13  1  0.008  0.318  0.500  1.0
  O  O14  1  0.007  0.489  0.225  1.0
  O  O15  1  0.222  0.225  0.000  1.0
  O  O16  1  0.993  0.989  0.775  1.0
  O  O17  1  0.007  0.489  0.775  1.0
  O  O18  1  0.511  0.219  0.326  1.0
  O  O19  1  0.992  0.818  0.500  1.0
[/CIF]
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The compound described by CdTiO3 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to two equivalent O(2) and three equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Cd(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Cd(2) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_TiCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   7.068
_cell_length_c   9.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.347
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.965  0.751  0.290  1.0
  Ti  Ti1  1  0.035  0.251  0.710  1.0
  Ti  Ti2  1  0.035  0.251  0.290  1.0
  Ti  Ti3  1  0.965  0.751  0.710  1.0
  Cd  Cd4  1  0.682  0.038  0.000  1.0
  Cd  Cd5  1  0.493  0.990  0.500  1.0
  Cd  Cd6  1  0.318  0.538  0.000  1.0
  Cd  Cd7  1  0.507  0.490  0.500  1.0
  O  O8  1  0.778  0.725  0.000  1.0
  O  O9  1  0.993  0.989  0.225  1.0
  O  O10  1  0.489  0.719  0.674  1.0
  O  O11  1  0.511  0.219  0.674  1.0
  O  O12  1  0.489  0.719  0.326  1.0
  O  O13  1  0.008  0.318  0.500  1.0
  O  O14  1  0.007  0.489  0.225  1.0
  O  O15  1  0.222  0.225  0.000  1.0
  O  O16  1  0.993  0.989  0.775  1.0
  O  O17  1  0.007  0.489  0.775  1.0
  O  O18  1  0.511  0.219  0.326  1.0
  O  O19  1  0.992  0.818  0.500  1.0
[/CIF]
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