The compound described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to 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 8-coordinate geometry to one Zr(2), three equivalent Zr(1), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and six equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   6.018
_cell_length_c   11.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.027
_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  0.000  0.828  1.0
  Zr  Zr1  1  0.000  0.000  0.306  1.0
  Zr  Zr2  1  0.000  0.749  0.574  1.0
  Zr  Zr3  1  0.000  0.251  0.574  1.0
  Zr  Zr4  1  0.500  0.751  0.426  1.0
  Zr  Zr5  1  0.500  0.500  0.694  1.0
  Zr  Zr6  1  0.500  0.500  0.172  1.0
  Zr  Zr7  1  0.500  0.249  0.426  1.0
  Sn  Sn8  1  0.000  0.745  0.067  1.0
  Sn  Sn9  1  0.000  0.500  0.800  1.0
  Sn  Sn10  1  0.000  0.500  0.345  1.0
  Sn  Sn11  1  0.000  0.255  0.067  1.0
  Sn  Sn12  1  0.500  0.000  0.655  1.0
  Sn  Sn13  1  0.500  0.000  0.200  1.0
  Sn  Sn14  1  0.500  0.755  0.933  1.0
  Sn  Sn15  1  0.500  0.245  0.933  1.0
[/CIF]
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The compound described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to 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 8-coordinate geometry to one Zr(2), three equivalent Zr(1), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Zr(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and six equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   6.018
_cell_length_c   11.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.027
_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  0.000  0.828  1.0
  Zr  Zr1  1  0.000  0.000  0.306  1.0
  Zr  Zr2  1  0.000  0.749  0.574  1.0
  Zr  Zr3  1  0.000  0.251  0.574  1.0
  Zr  Zr4  1  0.500  0.751  0.426  1.0
  Zr  Zr5  1  0.500  0.500  0.694  1.0
  Zr  Zr6  1  0.500  0.500  0.172  1.0
  Zr  Zr7  1  0.500  0.249  0.426  1.0
  Sn  Sn8  1  0.000  0.745  0.067  1.0
  Sn  Sn9  1  0.000  0.500  0.800  1.0
  Sn  Sn10  1  0.000  0.500  0.345  1.0
  Sn  Sn11  1  0.000  0.255  0.067  1.0
  Sn  Sn12  1  0.500  0.000  0.655  1.0
  Sn  Sn13  1  0.500  0.000  0.200  1.0
  Sn  Sn14  1  0.500  0.755  0.933  1.0
  Sn  Sn15  1  0.500  0.245  0.933  1.0
[/CIF]
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