The structure described by ZnSn3 crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded in a square co-planar geometry to four equivalent Sn(2) and eight equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Zn(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form a mixture of distorted face, corner, and edge-sharing SnZn4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to four equivalent Zn(1) and eight equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   6.074
_cell_length_c   6.074
_cell_angle_alpha   137.256
_cell_angle_beta   137.256
_cell_angle_gamma   62.044
_symmetry_Int_Tables_number   1
_cell_volume   102.020
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by ZnSn3 crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded in a square co-planar geometry to four equivalent Sn(2) and eight equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Zn(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form a mixture of distorted face, corner, and edge-sharing SnZn4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to four equivalent Zn(1) and eight equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   6.074
_cell_length_c   6.074
_cell_angle_alpha   137.256
_cell_angle_beta   137.256
_cell_angle_gamma   62.044
_symmetry_Int_Tables_number   1
_cell_volume   102.020
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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