The material structure described by ZrSn crystallizes in the orthorhombic Pbcm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Sn(3) atom. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to two equivalent Zr(3), three equivalent Zr(1), three equivalent Zr(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. is represented by the CIF file [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   6.720
_cell_length_c   15.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.158
_cell_formula_units_Z   12
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  0.250  0.877  0.848  1.0
  Zr  Zr1  1  0.250  0.372  0.841  1.0
  Zr  Zr2  1  0.750  0.625  0.827  1.0
  Zr  Zr3  1  0.250  0.625  0.673  1.0
  Zr  Zr4  1  0.750  0.877  0.652  1.0
  Zr  Zr5  1  0.750  0.372  0.659  1.0
  Zr  Zr6  1  0.250  0.628  0.341  1.0
  Zr  Zr7  1  0.250  0.123  0.348  1.0
  Zr  Zr8  1  0.750  0.375  0.327  1.0
  Zr  Zr9  1  0.250  0.375  0.173  1.0
  Zr  Zr10  1  0.750  0.628  0.159  1.0
  Zr  Zr11  1  0.750  0.123  0.152  1.0
  Sn  Sn12  1  0.750  0.870  0.990  1.0
  Sn  Sn13  1  0.750  0.377  0.990  1.0
  Sn  Sn14  1  0.750  0.116  0.815  1.0
  Sn  Sn15  1  0.250  0.116  0.685  1.0
  Sn  Sn16  1  0.250  0.870  0.510  1.0
  Sn  Sn17  1  0.250  0.377  0.510  1.0
  Sn  Sn18  1  0.750  0.623  0.490  1.0
  Sn  Sn19  1  0.750  0.130  0.490  1.0
  Sn  Sn20  1  0.750  0.884  0.315  1.0
  Sn  Sn21  1  0.250  0.884  0.185  1.0
  Sn  Sn22  1  0.250  0.623  0.010  1.0
  Sn  Sn23  1  0.250  0.130  0.010  1.0
[/CIF]
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The material structure described by ZrSn crystallizes in the orthorhombic Pbcm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Sn(3) atom. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to two equivalent Zr(3), three equivalent Zr(1), three equivalent Zr(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. is represented by the CIF file [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   6.720
_cell_length_c   15.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.158
_cell_formula_units_Z   12
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  0.250  0.877  0.848  1.0
  Zr  Zr1  1  0.250  0.372  0.841  1.0
  Zr  Zr2  1  0.750  0.625  0.827  1.0
  Zr  Zr3  1  0.250  0.625  0.673  1.0
  Zr  Zr4  1  0.750  0.877  0.652  1.0
  Zr  Zr5  1  0.750  0.372  0.659  1.0
  Zr  Zr6  1  0.250  0.628  0.341  1.0
  Zr  Zr7  1  0.250  0.123  0.348  1.0
  Zr  Zr8  1  0.750  0.375  0.327  1.0
  Zr  Zr9  1  0.250  0.375  0.173  1.0
  Zr  Zr10  1  0.750  0.628  0.159  1.0
  Zr  Zr11  1  0.750  0.123  0.152  1.0
  Sn  Sn12  1  0.750  0.870  0.990  1.0
  Sn  Sn13  1  0.750  0.377  0.990  1.0
  Sn  Sn14  1  0.750  0.116  0.815  1.0
  Sn  Sn15  1  0.250  0.116  0.685  1.0
  Sn  Sn16  1  0.250  0.870  0.510  1.0
  Sn  Sn17  1  0.250  0.377  0.510  1.0
  Sn  Sn18  1  0.750  0.623  0.490  1.0
  Sn  Sn19  1  0.750  0.130  0.490  1.0
  Sn  Sn20  1  0.750  0.884  0.315  1.0
  Sn  Sn21  1  0.250  0.884  0.185  1.0
  Sn  Sn22  1  0.250  0.623  0.010  1.0
  Sn  Sn23  1  0.250  0.130  0.010  1.0
[/CIF]
.