The material structure described by PdSn2 crystallizes in the tetragonal I4_1/acd space group. Pd(1) is bonded in a 9-coordinate geometry to one Pd(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing SnPd4 tetrahedra. is represented by the CIF card [CIF]
data_Sn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.541
_cell_length_b   6.541
_cell_length_c   13.148
_cell_angle_alpha   104.438
_cell_angle_beta   104.438
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   526.450
_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
  Sn  Sn0  1  0.716  0.284  0.250  1.0
  Sn  Sn1  1  0.467  0.216  0.750  1.0
  Sn  Sn2  1  0.784  0.534  0.750  1.0
  Sn  Sn3  1  0.034  0.966  0.250  1.0
  Sn  Sn4  1  0.284  0.716  0.750  1.0
  Sn  Sn5  1  0.534  0.784  0.250  1.0
  Sn  Sn6  1  0.216  0.466  0.250  1.0
  Sn  Sn7  1  0.966  0.034  0.750  1.0
  Sn  Sn8  1  0.250  0.501  0.500  1.0
  Sn  Sn9  1  0.499  0.750  0.000  1.0
  Sn  Sn10  1  0.001  0.250  0.000  1.0
  Sn  Sn11  1  0.750  0.999  0.500  1.0
  Sn  Sn12  1  0.750  0.499  0.500  1.0
  Sn  Sn13  1  0.501  0.250  0.000  1.0
  Sn  Sn14  1  0.999  0.750  0.000  1.0
  Sn  Sn15  1  0.250  0.001  0.500  1.0
  Pd  Pd16  1  0.067  0.317  0.634  1.0
  Pd  Pd17  1  0.817  0.567  0.134  1.0
  Pd  Pd18  1  0.433  0.183  0.366  1.0
  Pd  Pd19  1  0.683  0.933  0.866  1.0
  Pd  Pd20  1  0.933  0.683  0.366  1.0
  Pd  Pd21  1  0.183  0.433  0.866  1.0
  Pd  Pd22  1  0.567  0.817  0.634  1.0
  Pd  Pd23  1  0.317  0.067  0.134  1.0
[/CIF]
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The material structure described by PdSn2 crystallizes in the tetragonal I4_1/acd space group. Pd(1) is bonded in a 9-coordinate geometry to one Pd(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing SnPd4 tetrahedra. is represented by the CIF card [CIF]
data_Sn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.541
_cell_length_b   6.541
_cell_length_c   13.148
_cell_angle_alpha   104.438
_cell_angle_beta   104.438
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   526.450
_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
  Sn  Sn0  1  0.716  0.284  0.250  1.0
  Sn  Sn1  1  0.467  0.216  0.750  1.0
  Sn  Sn2  1  0.784  0.534  0.750  1.0
  Sn  Sn3  1  0.034  0.966  0.250  1.0
  Sn  Sn4  1  0.284  0.716  0.750  1.0
  Sn  Sn5  1  0.534  0.784  0.250  1.0
  Sn  Sn6  1  0.216  0.466  0.250  1.0
  Sn  Sn7  1  0.966  0.034  0.750  1.0
  Sn  Sn8  1  0.250  0.501  0.500  1.0
  Sn  Sn9  1  0.499  0.750  0.000  1.0
  Sn  Sn10  1  0.001  0.250  0.000  1.0
  Sn  Sn11  1  0.750  0.999  0.500  1.0
  Sn  Sn12  1  0.750  0.499  0.500  1.0
  Sn  Sn13  1  0.501  0.250  0.000  1.0
  Sn  Sn14  1  0.999  0.750  0.000  1.0
  Sn  Sn15  1  0.250  0.001  0.500  1.0
  Pd  Pd16  1  0.067  0.317  0.634  1.0
  Pd  Pd17  1  0.817  0.567  0.134  1.0
  Pd  Pd18  1  0.433  0.183  0.366  1.0
  Pd  Pd19  1  0.683  0.933  0.866  1.0
  Pd  Pd20  1  0.933  0.683  0.366  1.0
  Pd  Pd21  1  0.183  0.433  0.866  1.0
  Pd  Pd22  1  0.567  0.817  0.634  1.0
  Pd  Pd23  1  0.317  0.067  0.134  1.0
[/CIF]
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