The material structure described by ZrSn crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Zr(2), three equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Zr(2), one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to one Zr(3), three equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent Zr(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.675
_cell_length_b   7.802
_cell_length_c   8.208
_cell_angle_alpha   73.048
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.345
_cell_formula_units_Z   6
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  0.750  0.356  0.536  1.0
  Zr  Zr1  1  0.250  0.644  0.464  1.0
  Zr  Zr2  1  0.250  0.000  0.128  1.0
  Zr  Zr3  1  0.250  0.964  0.635  1.0
  Zr  Zr4  1  0.750  0.036  0.365  1.0
  Zr  Zr5  1  0.750  1.000  0.872  1.0
  Sn  Sn6  1  0.750  0.337  0.027  1.0
  Sn  Sn7  1  0.250  0.663  0.973  1.0
  Sn  Sn8  1  0.750  0.721  0.224  1.0
  Sn  Sn9  1  0.750  0.704  0.675  1.0
  Sn  Sn10  1  0.250  0.296  0.325  1.0
  Sn  Sn11  1  0.250  0.279  0.776  1.0
[/CIF]
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The material structure described by ZrSn crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Zr(2), three equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent Zr(3), one Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Zr(2), one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to one Zr(3), three equivalent Zr(2), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent Zr(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.675
_cell_length_b   7.802
_cell_length_c   8.208
_cell_angle_alpha   73.048
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.345
_cell_formula_units_Z   6
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  0.750  0.356  0.536  1.0
  Zr  Zr1  1  0.250  0.644  0.464  1.0
  Zr  Zr2  1  0.250  0.000  0.128  1.0
  Zr  Zr3  1  0.250  0.964  0.635  1.0
  Zr  Zr4  1  0.750  0.036  0.365  1.0
  Zr  Zr5  1  0.750  1.000  0.872  1.0
  Sn  Sn6  1  0.750  0.337  0.027  1.0
  Sn  Sn7  1  0.250  0.663  0.973  1.0
  Sn  Sn8  1  0.750  0.721  0.224  1.0
  Sn  Sn9  1  0.750  0.704  0.675  1.0
  Sn  Sn10  1  0.250  0.296  0.325  1.0
  Sn  Sn11  1  0.250  0.279  0.776  1.0
[/CIF]
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