The compound described by Na6ZnSn2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(3) and three equivalent Sn(1) atoms. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Na(3) and four equivalent Sn(1) atoms. In the third Na site, Na(3) is bonded in a 11-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), three equivalent Zn(1), and three equivalent Sn(1) atoms. Zn(1) is bonded in a 8-coordinate geometry to six equivalent Na(3) and two equivalent Sn(1) atoms. Sn(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), three equivalent Na(3), four equivalent Na(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Na6ZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.695
_cell_length_c   9.307
_cell_angle_alpha   97.293
_cell_angle_beta   90.000
_cell_angle_gamma   118.549
_symmetry_Int_Tables_number   1
_cell_volume   250.774
_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  0.472  0.943  0.274  1.0
  Na  Na1  1  0.174  0.348  0.592  1.0
  Na  Na2  1  0.293  0.586  0.931  1.0
  Na  Na3  1  0.826  0.652  0.408  1.0
  Na  Na4  1  0.528  0.057  0.726  1.0
  Na  Na5  1  0.707  0.414  0.069  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.146  0.293  0.250  1.0
  Sn  Sn8  1  0.854  0.707  0.750  1.0
[/CIF]
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The compound described by Na6ZnSn2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(3) and three equivalent Sn(1) atoms. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Na(3) and four equivalent Sn(1) atoms. In the third Na site, Na(3) is bonded in a 11-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), three equivalent Zn(1), and three equivalent Sn(1) atoms. Zn(1) is bonded in a 8-coordinate geometry to six equivalent Na(3) and two equivalent Sn(1) atoms. Sn(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), three equivalent Na(3), four equivalent Na(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Na6ZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.695
_cell_length_c   9.307
_cell_angle_alpha   97.293
_cell_angle_beta   90.000
_cell_angle_gamma   118.549
_symmetry_Int_Tables_number   1
_cell_volume   250.774
_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  0.472  0.943  0.274  1.0
  Na  Na1  1  0.174  0.348  0.592  1.0
  Na  Na2  1  0.293  0.586  0.931  1.0
  Na  Na3  1  0.826  0.652  0.408  1.0
  Na  Na4  1  0.528  0.057  0.726  1.0
  Na  Na5  1  0.707  0.414  0.069  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.146  0.293  0.250  1.0
  Sn  Sn8  1  0.854  0.707  0.750  1.0
[/CIF]
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