The compound described by Ca2Sn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing SnO6 octahedra. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sn(2) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Sn(1), and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), one Sn(1), and one Sn(2) atom to form a mixture of distorted corner and edge-sharing OCa2Sn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.524
_cell_length_b   6.524
_cell_length_c   5.344
_cell_angle_alpha   72.032
_cell_angle_beta   72.032
_cell_angle_gamma   58.359
_symmetry_Int_Tables_number   1
_cell_volume   181.123
_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  0.720  0.720  0.345  1.0
  Ca  Ca1  1  0.280  0.280  0.655  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.738  0.262  0.000  1.0
  Sn  Sn4  1  0.262  0.738  0.000  1.0
  O  O5  1  0.391  0.391  0.944  1.0
  O  O6  1  0.609  0.609  0.056  1.0
  O  O7  1  0.899  0.899  0.914  1.0
  O  O8  1  0.101  0.101  0.086  1.0
  O  O9  1  0.329  0.888  0.602  1.0
  O  O10  1  0.888  0.329  0.602  1.0
  O  O11  1  0.112  0.671  0.398  1.0
  O  O12  1  0.671  0.112  0.398  1.0
[/CIF]
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The compound described by Ca2Sn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing SnO6 octahedra. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sn(2) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Sn(1), and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), one Sn(1), and one Sn(2) atom to form a mixture of distorted corner and edge-sharing OCa2Sn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.524
_cell_length_b   6.524
_cell_length_c   5.344
_cell_angle_alpha   72.032
_cell_angle_beta   72.032
_cell_angle_gamma   58.359
_symmetry_Int_Tables_number   1
_cell_volume   181.123
_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  0.720  0.720  0.345  1.0
  Ca  Ca1  1  0.280  0.280  0.655  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.738  0.262  0.000  1.0
  Sn  Sn4  1  0.262  0.738  0.000  1.0
  O  O5  1  0.391  0.391  0.944  1.0
  O  O6  1  0.609  0.609  0.056  1.0
  O  O7  1  0.899  0.899  0.914  1.0
  O  O8  1  0.101  0.101  0.086  1.0
  O  O9  1  0.329  0.888  0.602  1.0
  O  O10  1  0.888  0.329  0.602  1.0
  O  O11  1  0.112  0.671  0.398  1.0
  O  O12  1  0.671  0.112  0.398  1.0
[/CIF]
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