The material structure described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Zr(1), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), one Sn(1), one Sn(3), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to three equivalent Zr(1) and four equivalent Zr(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.596
_cell_length_c   12.698
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.405
_cell_formula_units_Z   8
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  0.000  0.667  0.118  1.0
  Zr  Zr1  1  0.000  0.157  0.247  1.0
  Zr  Zr2  1  0.000  0.157  0.753  1.0
  Zr  Zr3  1  0.000  0.667  0.882  1.0
  Zr  Zr4  1  0.500  0.843  0.253  1.0
  Zr  Zr5  1  0.500  0.333  0.382  1.0
  Zr  Zr6  1  0.500  0.333  0.618  1.0
  Zr  Zr7  1  0.500  0.843  0.747  1.0
  Sn  Sn8  1  0.000  0.173  0.000  1.0
  Sn  Sn9  1  0.000  0.669  0.353  1.0
  Sn  Sn10  1  0.000  0.213  0.500  1.0
  Sn  Sn11  1  0.000  0.669  0.647  1.0
  Sn  Sn12  1  0.500  0.787  0.000  1.0
  Sn  Sn13  1  0.500  0.331  0.147  1.0
  Sn  Sn14  1  0.500  0.827  0.500  1.0
  Sn  Sn15  1  0.500  0.331  0.853  1.0
[/CIF]
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The material structure described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Zr(1), four equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to four equivalent Zr(1), one Sn(1), one Sn(3), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to three equivalent Zr(1) and four equivalent Zr(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.596
_cell_length_c   12.698
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.405
_cell_formula_units_Z   8
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  0.000  0.667  0.118  1.0
  Zr  Zr1  1  0.000  0.157  0.247  1.0
  Zr  Zr2  1  0.000  0.157  0.753  1.0
  Zr  Zr3  1  0.000  0.667  0.882  1.0
  Zr  Zr4  1  0.500  0.843  0.253  1.0
  Zr  Zr5  1  0.500  0.333  0.382  1.0
  Zr  Zr6  1  0.500  0.333  0.618  1.0
  Zr  Zr7  1  0.500  0.843  0.747  1.0
  Sn  Sn8  1  0.000  0.173  0.000  1.0
  Sn  Sn9  1  0.000  0.669  0.353  1.0
  Sn  Sn10  1  0.000  0.213  0.500  1.0
  Sn  Sn11  1  0.000  0.669  0.647  1.0
  Sn  Sn12  1  0.500  0.787  0.000  1.0
  Sn  Sn13  1  0.500  0.331  0.147  1.0
  Sn  Sn14  1  0.500  0.827  0.500  1.0
  Sn  Sn15  1  0.500  0.331  0.853  1.0
[/CIF]
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