The compound described by Zn3Sn crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent Zn(2), three equivalent Zn(3), and two equivalent Sn(1) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(3), and three equivalent Sn(1) atoms. In the third Zn site, Zn(3) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 7-coordinate geometry to two equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_Zn3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.524
_cell_length_b   5.834
_cell_length_c   6.757
_cell_angle_alpha   114.384
_cell_angle_beta   104.051
_cell_angle_gamma   91.735
_symmetry_Int_Tables_number   1
_cell_volume   155.847
_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
  Zn  Zn0  1  0.242  0.316  0.168  1.0
  Zn  Zn1  1  0.243  0.849  0.168  1.0
  Zn  Zn2  1  0.241  0.865  0.732  1.0
  Zn  Zn3  1  0.758  0.684  0.832  1.0
  Zn  Zn4  1  0.757  0.151  0.832  1.0
  Zn  Zn5  1  0.759  0.135  0.268  1.0
  Sn  Sn6  1  0.782  0.660  0.318  1.0
  Sn  Sn7  1  0.218  0.340  0.682  1.0
[/CIF]
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The compound described by Zn3Sn crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent Zn(2), three equivalent Zn(3), and two equivalent Sn(1) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(3), and three equivalent Sn(1) atoms. In the third Zn site, Zn(3) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 7-coordinate geometry to two equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. is represented by the CIF file [CIF]
data_Zn3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.524
_cell_length_b   5.834
_cell_length_c   6.757
_cell_angle_alpha   114.384
_cell_angle_beta   104.051
_cell_angle_gamma   91.735
_symmetry_Int_Tables_number   1
_cell_volume   155.847
_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
  Zn  Zn0  1  0.242  0.316  0.168  1.0
  Zn  Zn1  1  0.243  0.849  0.168  1.0
  Zn  Zn2  1  0.241  0.865  0.732  1.0
  Zn  Zn3  1  0.758  0.684  0.832  1.0
  Zn  Zn4  1  0.757  0.151  0.832  1.0
  Zn  Zn5  1  0.759  0.135  0.268  1.0
  Sn  Sn6  1  0.782  0.660  0.318  1.0
  Sn  Sn7  1  0.218  0.340  0.682  1.0
[/CIF]
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