The crystal structure described by Ca(SnO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sn(2)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ca(1), one Sn(2), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   6.905
_cell_length_c   6.905
_cell_angle_alpha   57.410
_cell_angle_beta   57.410
_cell_angle_gamma   57.410
_symmetry_Int_Tables_number   1
_cell_volume   218.894
_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  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.308  0.748  0.748  1.0
  O  O6  1  0.252  0.252  0.692  1.0
  O  O7  1  0.692  0.252  0.252  1.0
  O  O8  1  0.252  0.692  0.252  1.0
  O  O9  1  0.272  0.272  0.272  1.0
  O  O10  1  0.728  0.728  0.728  1.0
  O  O11  1  0.748  0.308  0.748  1.0
  O  O12  1  0.748  0.748  0.308  1.0
[/CIF]
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The crystal structure described by Ca(SnO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sn(2)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ca(1), one Sn(2), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   6.905
_cell_length_c   6.905
_cell_angle_alpha   57.410
_cell_angle_beta   57.410
_cell_angle_gamma   57.410
_symmetry_Int_Tables_number   1
_cell_volume   218.894
_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  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.308  0.748  0.748  1.0
  O  O6  1  0.252  0.252  0.692  1.0
  O  O7  1  0.692  0.252  0.252  1.0
  O  O8  1  0.252  0.692  0.252  1.0
  O  O9  1  0.272  0.272  0.272  1.0
  O  O10  1  0.728  0.728  0.728  1.0
  O  O11  1  0.748  0.308  0.748  1.0
  O  O12  1  0.748  0.748  0.308  1.0
[/CIF]
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