The structure described by CaTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 pentagonal pyramids that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Ca(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ca(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_CaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   5.924
_cell_angle_alpha   53.592
_cell_angle_beta   53.592
_cell_angle_gamma   53.592
_symmetry_Int_Tables_number   1
_cell_volume   124.953
_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
  Ca  Ca0  1  0.637  0.637  0.637  1.0
  Ca  Ca1  1  0.363  0.363  0.363  1.0
  Ti  Ti2  1  0.851  0.851  0.851  1.0
  Ti  Ti3  1  0.149  0.149  0.149  1.0
  O  O4  1  0.186  0.565  0.973  1.0
  O  O5  1  0.973  0.186  0.565  1.0
  O  O6  1  0.435  0.027  0.814  1.0
  O  O7  1  0.565  0.973  0.186  1.0
  O  O8  1  0.027  0.814  0.435  1.0
  O  O9  1  0.814  0.435  0.027  1.0
[/CIF]
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The structure described by CaTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 pentagonal pyramids that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Ca(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ca(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_CaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   5.924
_cell_angle_alpha   53.592
_cell_angle_beta   53.592
_cell_angle_gamma   53.592
_symmetry_Int_Tables_number   1
_cell_volume   124.953
_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
  Ca  Ca0  1  0.637  0.637  0.637  1.0
  Ca  Ca1  1  0.363  0.363  0.363  1.0
  Ti  Ti2  1  0.851  0.851  0.851  1.0
  Ti  Ti3  1  0.149  0.149  0.149  1.0
  O  O4  1  0.186  0.565  0.973  1.0
  O  O5  1  0.973  0.186  0.565  1.0
  O  O6  1  0.435  0.027  0.814  1.0
  O  O7  1  0.565  0.973  0.186  1.0
  O  O8  1  0.027  0.814  0.435  1.0
  O  O9  1  0.814  0.435  0.027  1.0
[/CIF]
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