The structure described by Zr2Sn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), and six equivalent Sn(1) atoms to form a mixture of distorted edge and face-sharing ZrZr6Sn6 cuboctahedra. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.345
_cell_length_c   9.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.809
_cell_formula_units_Z   4
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  0.455  0.000  0.000  1.0
  Zr  Zr1  1  0.415  0.000  0.323  1.0
  Zr  Zr2  1  0.910  0.000  0.500  1.0
  Zr  Zr3  1  0.415  0.000  0.677  1.0
  Zr  Zr4  1  0.090  0.500  0.000  1.0
  Zr  Zr5  1  0.585  0.500  0.177  1.0
  Zr  Zr6  1  0.545  0.500  0.500  1.0
  Zr  Zr7  1  0.585  0.500  0.823  1.0
  Sn  Sn8  1  0.930  0.000  0.169  1.0
  Sn  Sn9  1  0.930  0.000  0.831  1.0
  Sn  Sn10  1  0.070  0.500  0.331  1.0
  Sn  Sn11  1  0.070  0.500  0.669  1.0
[/CIF]
.
The structure described by Zr2Sn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and four equivalent Sn(1) atoms. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), and six equivalent Sn(1) atoms to form a mixture of distorted edge and face-sharing ZrZr6Sn6 cuboctahedra. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.345
_cell_length_c   9.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.809
_cell_formula_units_Z   4
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  0.455  0.000  0.000  1.0
  Zr  Zr1  1  0.415  0.000  0.323  1.0
  Zr  Zr2  1  0.910  0.000  0.500  1.0
  Zr  Zr3  1  0.415  0.000  0.677  1.0
  Zr  Zr4  1  0.090  0.500  0.000  1.0
  Zr  Zr5  1  0.585  0.500  0.177  1.0
  Zr  Zr6  1  0.545  0.500  0.500  1.0
  Zr  Zr7  1  0.585  0.500  0.823  1.0
  Sn  Sn8  1  0.930  0.000  0.169  1.0
  Sn  Sn9  1  0.930  0.000  0.831  1.0
  Sn  Sn10  1  0.070  0.500  0.331  1.0
  Sn  Sn11  1  0.070  0.500  0.669  1.0
[/CIF]
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