The compound described by Na10CaSn12 crystallizes in the cubic I-43m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Sn(1) atoms to form corner-sharing NaSn4 tetrahedra. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to nine equivalent Sn(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to twelve equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Na(1), three equivalent Na(2), one Ca(1), and three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na10CaSn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.705
_cell_length_b   9.705
_cell_length_c   9.705
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   703.583
_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
  Na  Na0  1  0.250  0.500  0.750  1.0
  Na  Na1  1  0.386  0.386  0.386  1.0
  Na  Na2  1  0.000  0.614  0.000  1.0
  Na  Na3  1  0.614  0.000  0.000  1.0
  Na  Na4  1  0.000  0.000  0.614  1.0
  Na  Na5  1  0.750  0.500  0.250  1.0
  Na  Na6  1  0.250  0.750  0.500  1.0
  Na  Na7  1  0.750  0.250  0.500  1.0
  Na  Na8  1  0.500  0.250  0.750  1.0
  Na  Na9  1  0.500  0.750  0.250  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.630  0.630  0.818  1.0
  Sn  Sn12  1  0.000  0.188  0.370  1.0
  Sn  Sn13  1  0.188  0.000  0.370  1.0
  Sn  Sn14  1  0.812  0.182  0.812  1.0
  Sn  Sn15  1  0.182  0.812  0.812  1.0
  Sn  Sn16  1  0.818  0.630  0.630  1.0
  Sn  Sn17  1  0.000  0.370  0.188  1.0
  Sn  Sn18  1  0.370  0.000  0.188  1.0
  Sn  Sn19  1  0.630  0.818  0.630  1.0
  Sn  Sn20  1  0.188  0.370  0.000  1.0
  Sn  Sn21  1  0.370  0.188  0.000  1.0
  Sn  Sn22  1  0.812  0.812  0.182  1.0
[/CIF]
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The compound described by Na10CaSn12 crystallizes in the cubic I-43m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Sn(1) atoms to form corner-sharing NaSn4 tetrahedra. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to nine equivalent Sn(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to twelve equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Na(1), three equivalent Na(2), one Ca(1), and three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na10CaSn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.705
_cell_length_b   9.705
_cell_length_c   9.705
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   703.583
_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
  Na  Na0  1  0.250  0.500  0.750  1.0
  Na  Na1  1  0.386  0.386  0.386  1.0
  Na  Na2  1  0.000  0.614  0.000  1.0
  Na  Na3  1  0.614  0.000  0.000  1.0
  Na  Na4  1  0.000  0.000  0.614  1.0
  Na  Na5  1  0.750  0.500  0.250  1.0
  Na  Na6  1  0.250  0.750  0.500  1.0
  Na  Na7  1  0.750  0.250  0.500  1.0
  Na  Na8  1  0.500  0.250  0.750  1.0
  Na  Na9  1  0.500  0.750  0.250  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.630  0.630  0.818  1.0
  Sn  Sn12  1  0.000  0.188  0.370  1.0
  Sn  Sn13  1  0.188  0.000  0.370  1.0
  Sn  Sn14  1  0.812  0.182  0.812  1.0
  Sn  Sn15  1  0.182  0.812  0.812  1.0
  Sn  Sn16  1  0.818  0.630  0.630  1.0
  Sn  Sn17  1  0.000  0.370  0.188  1.0
  Sn  Sn18  1  0.370  0.000  0.188  1.0
  Sn  Sn19  1  0.630  0.818  0.630  1.0
  Sn  Sn20  1  0.188  0.370  0.000  1.0
  Sn  Sn21  1  0.370  0.188  0.000  1.0
  Sn  Sn22  1  0.812  0.812  0.182  1.0
[/CIF]
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