The material described by CaSnO6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Pn-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_CaSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   169.950
_cell_formula_units_Z   1
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  0.750  0.750  0.750  1.0
  O  O1  1  0.484  0.016  0.016  1.0
  O  O2  1  0.016  0.484  0.484  1.0
  O  O3  1  0.484  0.484  0.016  1.0
  O  O4  1  0.016  0.016  0.484  1.0
  O  O5  1  0.484  0.016  0.484  1.0
  O  O6  1  0.016  0.484  0.016  1.0
  Sn  Sn7  1  0.250  0.250  0.250  1.0
[/CIF]
.
The material described by CaSnO6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Pn-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_CaSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   169.950
_cell_formula_units_Z   1
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  0.750  0.750  0.750  1.0
  O  O1  1  0.484  0.016  0.016  1.0
  O  O2  1  0.016  0.484  0.484  1.0
  O  O3  1  0.484  0.484  0.016  1.0
  O  O4  1  0.016  0.016  0.484  1.0
  O  O5  1  0.484  0.016  0.484  1.0
  O  O6  1  0.016  0.484  0.016  1.0
  Sn  Sn7  1  0.250  0.250  0.250  1.0
[/CIF]
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