The compound described by BaSnO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic Imma space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_BaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.923
_cell_length_c   5.923
_cell_angle_alpha   120.005
_cell_angle_beta   119.855
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   147.102
_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
  Ba  Ba0  1  0.250  0.750  0.500  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.765  0.265  0.000  1.0
  O  O5  1  0.235  0.735  0.000  1.0
  O  O6  1  0.726  0.750  0.976  1.0
  O  O7  1  0.765  0.765  0.500  1.0
  O  O8  1  0.235  0.235  0.500  1.0
  O  O9  1  0.274  0.250  0.024  1.0
[/CIF]
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The compound described by BaSnO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic Imma space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_BaSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.923
_cell_length_c   5.923
_cell_angle_alpha   120.005
_cell_angle_beta   119.855
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   147.102
_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
  Ba  Ba0  1  0.250  0.750  0.500  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.765  0.265  0.000  1.0
  O  O5  1  0.235  0.735  0.000  1.0
  O  O6  1  0.726  0.750  0.976  1.0
  O  O7  1  0.765  0.765  0.500  1.0
  O  O8  1  0.235  0.235  0.500  1.0
  O  O9  1  0.274  0.250  0.024  1.0
[/CIF]
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