The compound described by La5(Ir2Sn5)2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Sn(2), and eight equivalent Sn(3) atoms. In the second La site, La(2) is bonded to four equivalent Ir(1), two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms to form distorted face-sharing LaSn8Ir4 cuboctahedra. In the third La site, La(3) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. Ir(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), one Sn(1), two equivalent 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 9-coordinate geometry to two equivalent La(2), four equivalent La(3), two equivalent Ir(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), two equivalent Ir(1), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to one La(2), one La(3), two equivalent La(1), two equivalent Ir(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_La5(Sn5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.262
_cell_length_b   14.262
_cell_length_c   4.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   963.839
_cell_formula_units_Z   2
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
  La  La0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.676  0.176  0.500  1.0
  La  La3  1  0.324  0.824  0.500  1.0
  La  La4  1  0.176  0.324  0.500  1.0
  La  La5  1  0.824  0.676  0.500  1.0
  La  La6  1  0.888  0.388  0.500  1.0
  La  La7  1  0.112  0.612  0.500  1.0
  La  La8  1  0.388  0.112  0.500  1.0
  La  La9  1  0.612  0.888  0.500  1.0
  Sn  Sn10  1  0.569  0.069  0.000  1.0
  Sn  Sn11  1  0.431  0.931  0.000  1.0
  Sn  Sn12  1  0.069  0.431  0.000  1.0
  Sn  Sn13  1  0.931  0.569  0.000  1.0
  Sn  Sn14  1  0.655  0.698  0.000  1.0
  Sn  Sn15  1  0.345  0.302  0.000  1.0
  Sn  Sn16  1  0.155  0.802  0.000  1.0
  Sn  Sn17  1  0.845  0.198  0.000  1.0
  Sn  Sn18  1  0.302  0.655  0.000  1.0
  Sn  Sn19  1  0.698  0.345  0.000  1.0
  Sn  Sn20  1  0.198  0.155  0.000  1.0
  Sn  Sn21  1  0.802  0.845  0.000  1.0
  Sn  Sn22  1  0.664  0.505  0.500  1.0
  Sn  Sn23  1  0.336  0.495  0.500  1.0
  Sn  Sn24  1  0.164  0.995  0.500  1.0
  Sn  Sn25  1  0.836  0.005  0.500  1.0
  Sn  Sn26  1  0.495  0.664  0.500  1.0
  Sn  Sn27  1  0.505  0.336  0.500  1.0
  Sn  Sn28  1  0.005  0.164  0.500  1.0
  Sn  Sn29  1  0.995  0.836  0.500  1.0
  Ir  Ir30  1  0.746  0.528  0.000  1.0
  Ir  Ir31  1  0.254  0.472  0.000  1.0
  Ir  Ir32  1  0.246  0.972  0.000  1.0
  Ir  Ir33  1  0.754  0.028  0.000  1.0
  Ir  Ir34  1  0.472  0.746  0.000  1.0
  Ir  Ir35  1  0.528  0.254  0.000  1.0
  Ir  Ir36  1  0.028  0.246  0.000  1.0
  Ir  Ir37  1  0.972  0.754  0.000  1.0
[/CIF]
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The compound described by La5(Ir2Sn5)2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Sn(2), and eight equivalent Sn(3) atoms. In the second La site, La(2) is bonded to four equivalent Ir(1), two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms to form distorted face-sharing LaSn8Ir4 cuboctahedra. In the third La site, La(3) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. Ir(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), one Sn(1), two equivalent 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 9-coordinate geometry to two equivalent La(2), four equivalent La(3), two equivalent Ir(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), two equivalent Ir(1), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to one La(2), one La(3), two equivalent La(1), two equivalent Ir(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_La5(Sn5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.262
_cell_length_b   14.262
_cell_length_c   4.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   963.839
_cell_formula_units_Z   2
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
  La  La0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.676  0.176  0.500  1.0
  La  La3  1  0.324  0.824  0.500  1.0
  La  La4  1  0.176  0.324  0.500  1.0
  La  La5  1  0.824  0.676  0.500  1.0
  La  La6  1  0.888  0.388  0.500  1.0
  La  La7  1  0.112  0.612  0.500  1.0
  La  La8  1  0.388  0.112  0.500  1.0
  La  La9  1  0.612  0.888  0.500  1.0
  Sn  Sn10  1  0.569  0.069  0.000  1.0
  Sn  Sn11  1  0.431  0.931  0.000  1.0
  Sn  Sn12  1  0.069  0.431  0.000  1.0
  Sn  Sn13  1  0.931  0.569  0.000  1.0
  Sn  Sn14  1  0.655  0.698  0.000  1.0
  Sn  Sn15  1  0.345  0.302  0.000  1.0
  Sn  Sn16  1  0.155  0.802  0.000  1.0
  Sn  Sn17  1  0.845  0.198  0.000  1.0
  Sn  Sn18  1  0.302  0.655  0.000  1.0
  Sn  Sn19  1  0.698  0.345  0.000  1.0
  Sn  Sn20  1  0.198  0.155  0.000  1.0
  Sn  Sn21  1  0.802  0.845  0.000  1.0
  Sn  Sn22  1  0.664  0.505  0.500  1.0
  Sn  Sn23  1  0.336  0.495  0.500  1.0
  Sn  Sn24  1  0.164  0.995  0.500  1.0
  Sn  Sn25  1  0.836  0.005  0.500  1.0
  Sn  Sn26  1  0.495  0.664  0.500  1.0
  Sn  Sn27  1  0.505  0.336  0.500  1.0
  Sn  Sn28  1  0.005  0.164  0.500  1.0
  Sn  Sn29  1  0.995  0.836  0.500  1.0
  Ir  Ir30  1  0.746  0.528  0.000  1.0
  Ir  Ir31  1  0.254  0.472  0.000  1.0
  Ir  Ir32  1  0.246  0.972  0.000  1.0
  Ir  Ir33  1  0.754  0.028  0.000  1.0
  Ir  Ir34  1  0.472  0.746  0.000  1.0
  Ir  Ir35  1  0.528  0.254  0.000  1.0
  Ir  Ir36  1  0.028  0.246  0.000  1.0
  Ir  Ir37  1  0.972  0.754  0.000  1.0
[/CIF]
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