The material described by CaSnO3 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. Sn(1) is bonded in a rectangular see-saw-like geometry to one 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 4-coordinate geometry to two equivalent Ca(1), one Sn(1), and one O(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one O(1) atom. is represented by the CIF card [CIF]
data_CaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.070
_cell_length_b   9.534
_cell_length_c   6.458
_cell_angle_alpha   138.002
_cell_angle_beta   160.939
_cell_angle_gamma   42.300
_symmetry_Int_Tables_number   1
_cell_volume   173.273
_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  0.235  0.653  0.003  1.0
  Ca  Ca1  1  0.765  0.347  0.997  1.0
  Sn  Sn2  1  0.784  0.826  0.937  1.0
  Sn  Sn3  1  0.216  0.174  0.063  1.0
  O  O4  1  0.906  0.684  0.692  1.0
  O  O5  1  0.717  0.174  0.041  1.0
  O  O6  1  0.364  0.298  0.954  1.0
  O  O7  1  0.094  0.316  0.308  1.0
  O  O8  1  0.283  0.826  0.959  1.0
  O  O9  1  0.636  0.702  0.046  1.0
[/CIF]
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The material described by CaSnO3 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. Sn(1) is bonded in a rectangular see-saw-like geometry to one 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 4-coordinate geometry to two equivalent Ca(1), one Sn(1), and one O(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one O(1) atom. is represented by the CIF card [CIF]
data_CaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.070
_cell_length_b   9.534
_cell_length_c   6.458
_cell_angle_alpha   138.002
_cell_angle_beta   160.939
_cell_angle_gamma   42.300
_symmetry_Int_Tables_number   1
_cell_volume   173.273
_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  0.235  0.653  0.003  1.0
  Ca  Ca1  1  0.765  0.347  0.997  1.0
  Sn  Sn2  1  0.784  0.826  0.937  1.0
  Sn  Sn3  1  0.216  0.174  0.063  1.0
  O  O4  1  0.906  0.684  0.692  1.0
  O  O5  1  0.717  0.174  0.041  1.0
  O  O6  1  0.364  0.298  0.954  1.0
  O  O7  1  0.094  0.316  0.308  1.0
  O  O8  1  0.283  0.826  0.959  1.0
  O  O9  1  0.636  0.702  0.046  1.0
[/CIF]
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