The compound described by Ca(SnO2)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and three equivalent Sn(1) atoms to form OCa2Sn3 trigonal bipyramids that share corners with four equivalent O(3)Ca2Sn4 octahedra, corners with five equivalent O(2)Ca2Sn2 tetrahedra, corners with two equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with three equivalent O(3)Ca2Sn4 octahedra,  an edgeedge with one O(2)Ca2Sn2 tetrahedra, and edges with five equivalent O(1)Ca2Sn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-42°. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form OCa2Sn2 tetrahedra that share corners with two equivalent O(2)Ca2Sn2 tetrahedra, corners with ten equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with four equivalent O(3)Ca2Sn4 octahedra, and edges with two equivalent O(1)Ca2Sn3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and four equivalent Sn(1) atoms to form distorted OCa2Sn4 octahedra that share corners with two equivalent O(3)Ca2Sn4 octahedra, corners with eight equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with two equivalent O(3)Ca2Sn4 octahedra, edges with four equivalent O(2)Ca2Sn2 tetrahedra, and edges with six equivalent O(1)Ca2Sn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.711
_cell_length_b   5.711
_cell_length_c   11.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.190
_symmetry_Int_Tables_number   1
_cell_volume   200.985
_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  0.610  0.390  0.750  1.0
  Ca  Ca1  1  0.390  0.610  0.250  1.0
  Sn  Sn2  1  0.131  0.869  0.073  1.0
  Sn  Sn3  1  0.869  0.131  0.927  1.0
  Sn  Sn4  1  0.131  0.869  0.427  1.0
  Sn  Sn5  1  0.869  0.131  0.573  1.0
  O  O6  1  0.773  0.227  0.389  1.0
  O  O7  1  0.227  0.773  0.611  1.0
  O  O8  1  0.227  0.773  0.889  1.0
  O  O9  1  0.773  0.227  0.111  1.0
  O  O10  1  0.044  0.956  0.250  1.0
  O  O11  1  0.956  0.044  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Ca(SnO2)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and three equivalent Sn(1) atoms to form OCa2Sn3 trigonal bipyramids that share corners with four equivalent O(3)Ca2Sn4 octahedra, corners with five equivalent O(2)Ca2Sn2 tetrahedra, corners with two equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with three equivalent O(3)Ca2Sn4 octahedra,  an edgeedge with one O(2)Ca2Sn2 tetrahedra, and edges with five equivalent O(1)Ca2Sn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-42°. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form OCa2Sn2 tetrahedra that share corners with two equivalent O(2)Ca2Sn2 tetrahedra, corners with ten equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with four equivalent O(3)Ca2Sn4 octahedra, and edges with two equivalent O(1)Ca2Sn3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and four equivalent Sn(1) atoms to form distorted OCa2Sn4 octahedra that share corners with two equivalent O(3)Ca2Sn4 octahedra, corners with eight equivalent O(1)Ca2Sn3 trigonal bipyramids, edges with two equivalent O(3)Ca2Sn4 octahedra, edges with four equivalent O(2)Ca2Sn2 tetrahedra, and edges with six equivalent O(1)Ca2Sn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.711
_cell_length_b   5.711
_cell_length_c   11.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.190
_symmetry_Int_Tables_number   1
_cell_volume   200.985
_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  0.610  0.390  0.750  1.0
  Ca  Ca1  1  0.390  0.610  0.250  1.0
  Sn  Sn2  1  0.131  0.869  0.073  1.0
  Sn  Sn3  1  0.869  0.131  0.927  1.0
  Sn  Sn4  1  0.131  0.869  0.427  1.0
  Sn  Sn5  1  0.869  0.131  0.573  1.0
  O  O6  1  0.773  0.227  0.389  1.0
  O  O7  1  0.227  0.773  0.611  1.0
  O  O8  1  0.227  0.773  0.889  1.0
  O  O9  1  0.773  0.227  0.111  1.0
  O  O10  1  0.044  0.956  0.250  1.0
  O  O11  1  0.956  0.044  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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