The structure described by Ca2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Sn(1) atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1) and five equivalent Ca(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.067
_cell_length_b   7.944
_cell_length_c   9.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.807
_cell_formula_units_Z   4
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  0.343  0.930  1.0
  Ca  Ca1  1  0.250  0.657  0.070  1.0
  Ca  Ca2  1  0.750  0.843  0.570  1.0
  Ca  Ca3  1  0.250  0.157  0.430  1.0
  Ca  Ca4  1  0.750  0.477  0.317  1.0
  Ca  Ca5  1  0.250  0.523  0.683  1.0
  Ca  Ca6  1  0.750  0.977  0.183  1.0
  Ca  Ca7  1  0.250  0.023  0.817  1.0
  Sn  Sn8  1  0.750  0.750  0.891  1.0
  Sn  Sn9  1  0.250  0.250  0.109  1.0
  Sn  Sn10  1  0.750  0.250  0.609  1.0
  Sn  Sn11  1  0.250  0.750  0.391  1.0
[/CIF]
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The structure described by Ca2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Sn(1) atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1) and five equivalent Ca(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.067
_cell_length_b   7.944
_cell_length_c   9.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.807
_cell_formula_units_Z   4
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  0.343  0.930  1.0
  Ca  Ca1  1  0.250  0.657  0.070  1.0
  Ca  Ca2  1  0.750  0.843  0.570  1.0
  Ca  Ca3  1  0.250  0.157  0.430  1.0
  Ca  Ca4  1  0.750  0.477  0.317  1.0
  Ca  Ca5  1  0.250  0.523  0.683  1.0
  Ca  Ca6  1  0.750  0.977  0.183  1.0
  Ca  Ca7  1  0.250  0.023  0.817  1.0
  Sn  Sn8  1  0.750  0.750  0.891  1.0
  Sn  Sn9  1  0.250  0.250  0.109  1.0
  Sn  Sn10  1  0.750  0.250  0.609  1.0
  Sn  Sn11  1  0.250  0.750  0.391  1.0
[/CIF]
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