The structure described by CdTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. Cd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are three 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 5-coordinate geometry to two equivalent Ti(1) and three equivalent Cd(1) atoms. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Cd(1) atoms to form distorted corner-sharing OTi2Cd2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.429
_cell_length_c   7.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.547
_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  0.499  0.001  0.496  1.0
  Ti  Ti1  1  0.501  0.999  0.996  1.0
  Ti  Ti2  1  0.001  0.501  0.496  1.0
  Ti  Ti3  1  0.999  0.499  0.996  1.0
  Cd  Cd4  1  0.509  0.461  0.247  1.0
  Cd  Cd5  1  0.491  0.539  0.747  1.0
  Cd  Cd6  1  0.991  0.961  0.247  1.0
  Cd  Cd7  1  0.009  0.039  0.747  1.0
  O  O8  1  0.796  0.212  0.052  1.0
  O  O9  1  0.204  0.788  0.552  1.0
  O  O10  1  0.704  0.712  0.052  1.0
  O  O11  1  0.296  0.288  0.552  1.0
  O  O12  1  0.801  0.196  0.456  1.0
  O  O13  1  0.199  0.804  0.956  1.0
  O  O14  1  0.699  0.696  0.456  1.0
  O  O15  1  0.301  0.304  0.956  1.0
  O  O16  1  0.909  0.471  0.753  1.0
  O  O17  1  0.091  0.529  0.253  1.0
  O  O18  1  0.591  0.971  0.753  1.0
  O  O19  1  0.409  0.029  0.253  1.0
[/CIF]
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The structure described by CdTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. Cd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are three 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 5-coordinate geometry to two equivalent Ti(1) and three equivalent Cd(1) atoms. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Cd(1) atoms to form distorted corner-sharing OTi2Cd2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   5.429
_cell_length_c   7.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.547
_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  0.499  0.001  0.496  1.0
  Ti  Ti1  1  0.501  0.999  0.996  1.0
  Ti  Ti2  1  0.001  0.501  0.496  1.0
  Ti  Ti3  1  0.999  0.499  0.996  1.0
  Cd  Cd4  1  0.509  0.461  0.247  1.0
  Cd  Cd5  1  0.491  0.539  0.747  1.0
  Cd  Cd6  1  0.991  0.961  0.247  1.0
  Cd  Cd7  1  0.009  0.039  0.747  1.0
  O  O8  1  0.796  0.212  0.052  1.0
  O  O9  1  0.204  0.788  0.552  1.0
  O  O10  1  0.704  0.712  0.052  1.0
  O  O11  1  0.296  0.288  0.552  1.0
  O  O12  1  0.801  0.196  0.456  1.0
  O  O13  1  0.199  0.804  0.956  1.0
  O  O14  1  0.699  0.696  0.456  1.0
  O  O15  1  0.301  0.304  0.956  1.0
  O  O16  1  0.909  0.471  0.753  1.0
  O  O17  1  0.091  0.529  0.253  1.0
  O  O18  1  0.591  0.971  0.753  1.0
  O  O19  1  0.409  0.029  0.253  1.0
[/CIF]
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