The material described by CaSnO3 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 Sn(1)O6 octahedra, edges with three equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with nine equivalent Ca(1)O6 pentagonal pyramids, edges with three equivalent Sn(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 Sn(1) atoms. is represented by the CIF file [CIF]
data_CaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   6.016
_cell_angle_alpha   54.589
_cell_angle_beta   54.589
_cell_angle_gamma   54.589
_symmetry_Int_Tables_number   1
_cell_volume   134.534
_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  0.362  0.362  0.362  1.0
  Ca  Ca1  1  0.638  0.638  0.638  1.0
  Sn  Sn2  1  0.154  0.154  0.154  1.0
  Sn  Sn3  1  0.846  0.846  0.846  1.0
  O  O4  1  0.793  0.444  0.035  1.0
  O  O5  1  0.444  0.035  0.793  1.0
  O  O6  1  0.035  0.793  0.444  1.0
  O  O7  1  0.207  0.556  0.965  1.0
  O  O8  1  0.965  0.207  0.556  1.0
  O  O9  1  0.556  0.965  0.207  1.0
[/CIF]
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The material described by CaSnO3 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 Sn(1)O6 octahedra, edges with three equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with nine equivalent Ca(1)O6 pentagonal pyramids, edges with three equivalent Sn(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 Sn(1) atoms. is represented by the CIF file [CIF]
data_CaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   6.016
_cell_angle_alpha   54.589
_cell_angle_beta   54.589
_cell_angle_gamma   54.589
_symmetry_Int_Tables_number   1
_cell_volume   134.534
_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  0.362  0.362  0.362  1.0
  Ca  Ca1  1  0.638  0.638  0.638  1.0
  Sn  Sn2  1  0.154  0.154  0.154  1.0
  Sn  Sn3  1  0.846  0.846  0.846  1.0
  O  O4  1  0.793  0.444  0.035  1.0
  O  O5  1  0.444  0.035  0.793  1.0
  O  O6  1  0.035  0.793  0.444  1.0
  O  O7  1  0.207  0.556  0.965  1.0
  O  O8  1  0.965  0.207  0.556  1.0
  O  O9  1  0.556  0.965  0.207  1.0
[/CIF]
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