The crystal structure described by Zr4Sn3 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted trigonal planar geometry to three equivalent Sn(1) atoms. Sn(1) is bonded in a 6-coordinate geometry to one Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr4Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.293
_cell_length_b   8.293
_cell_length_c   5.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   332.790
_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
  Zr  Zr0  1  0.904  0.361  0.750  1.0
  Zr  Zr1  1  0.543  0.904  0.250  1.0
  Zr  Zr2  1  0.333  0.667  0.750  1.0
  Zr  Zr3  1  0.361  0.457  0.250  1.0
  Zr  Zr4  1  0.639  0.543  0.750  1.0
  Zr  Zr5  1  0.667  0.333  0.250  1.0
  Zr  Zr6  1  0.457  0.096  0.750  1.0
  Zr  Zr7  1  0.096  0.639  0.250  1.0
  Sn  Sn8  1  0.949  0.210  0.250  1.0
  Sn  Sn9  1  0.739  0.949  0.750  1.0
  Sn  Sn10  1  0.210  0.261  0.750  1.0
  Sn  Sn11  1  0.790  0.739  0.250  1.0
  Sn  Sn12  1  0.261  0.051  0.250  1.0
  Sn  Sn13  1  0.051  0.790  0.750  1.0
[/CIF]
.
The crystal structure described by Zr4Sn3 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted trigonal planar geometry to three equivalent Sn(1) atoms. Sn(1) is bonded in a 6-coordinate geometry to one Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr4Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.293
_cell_length_b   8.293
_cell_length_c   5.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   332.790
_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
  Zr  Zr0  1  0.904  0.361  0.750  1.0
  Zr  Zr1  1  0.543  0.904  0.250  1.0
  Zr  Zr2  1  0.333  0.667  0.750  1.0
  Zr  Zr3  1  0.361  0.457  0.250  1.0
  Zr  Zr4  1  0.639  0.543  0.750  1.0
  Zr  Zr5  1  0.667  0.333  0.250  1.0
  Zr  Zr6  1  0.457  0.096  0.750  1.0
  Zr  Zr7  1  0.096  0.639  0.250  1.0
  Sn  Sn8  1  0.949  0.210  0.250  1.0
  Sn  Sn9  1  0.739  0.949  0.750  1.0
  Sn  Sn10  1  0.210  0.261  0.750  1.0
  Sn  Sn11  1  0.790  0.739  0.250  1.0
  Sn  Sn12  1  0.261  0.051  0.250  1.0
  Sn  Sn13  1  0.051  0.790  0.750  1.0
[/CIF]
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