The material structure described by La3Ir4Sn13 crystallizes in the cubic Pm-3n space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Sn(2) atoms. Ir(1) is bonded in a 9-coordinate geometry to three equivalent La(1) and six equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent La(1), two equivalent Ir(1), and one Sn(1) atom. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Sn13Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.823
_cell_length_b   9.823
_cell_length_c   9.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   947.708
_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  1.000  0.750  1.0
  La  La1  1  0.000  0.250  0.500  1.0
  La  La2  1  0.750  0.500  1.000  1.0
  La  La3  1  0.500  1.000  0.250  1.0
  La  La4  1  1.000  0.750  0.500  1.0
  La  La5  1  0.250  0.500  1.000  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.000  1.000  0.000  1.0
  Sn  Sn8  1  0.653  0.195  0.500  1.0
  Sn  Sn9  1  0.805  0.500  0.653  1.0
  Sn  Sn10  1  0.500  0.347  0.806  1.0
  Sn  Sn11  1  0.347  0.805  0.500  1.0
  Sn  Sn12  1  0.195  0.500  0.347  1.0
  Sn  Sn13  1  0.500  0.653  0.194  1.0
  Sn  Sn14  1  0.653  0.805  0.500  1.0
  Sn  Sn15  1  0.805  0.500  0.347  1.0
  Sn  Sn16  1  0.347  0.195  0.500  1.0
  Sn  Sn17  1  0.195  0.500  0.653  1.0
  Sn  Sn18  1  0.500  0.653  0.806  1.0
  Sn  Sn19  1  0.500  0.347  0.194  1.0
  Sn  Sn20  1  0.153  0.000  0.694  1.0
  Sn  Sn21  1  0.306  0.153  1.000  1.0
  Sn  Sn22  1  0.000  0.306  0.847  1.0
  Sn  Sn23  1  0.847  0.000  0.306  1.0
  Sn  Sn24  1  0.694  0.847  1.000  1.0
  Sn  Sn25  1  1.000  0.694  0.153  1.0
  Sn  Sn26  1  0.153  0.000  0.305  1.0
  Sn  Sn27  1  0.306  0.847  1.000  1.0
  Sn  Sn28  1  0.847  0.000  0.694  1.0
  Sn  Sn29  1  0.694  0.153  1.000  1.0
  Sn  Sn30  1  1.000  0.306  0.153  1.0
  Sn  Sn31  1  1.000  0.694  0.847  1.0
  Ir  Ir32  1  0.750  0.250  0.750  1.0
  Ir  Ir33  1  0.250  0.750  0.250  1.0
  Ir  Ir34  1  0.750  0.750  0.250  1.0
  Ir  Ir35  1  0.250  0.250  0.750  1.0
  Ir  Ir36  1  0.250  0.750  0.750  1.0
  Ir  Ir37  1  0.750  0.250  0.250  1.0
  Ir  Ir38  1  0.250  0.250  0.250  1.0
  Ir  Ir39  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by La3Ir4Sn13 crystallizes in the cubic Pm-3n space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Sn(2) atoms. Ir(1) is bonded in a 9-coordinate geometry to three equivalent La(1) and six equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent La(1), two equivalent Ir(1), and one Sn(1) atom. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Sn13Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.823
_cell_length_b   9.823
_cell_length_c   9.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   947.708
_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  1.000  0.750  1.0
  La  La1  1  0.000  0.250  0.500  1.0
  La  La2  1  0.750  0.500  1.000  1.0
  La  La3  1  0.500  1.000  0.250  1.0
  La  La4  1  1.000  0.750  0.500  1.0
  La  La5  1  0.250  0.500  1.000  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.000  1.000  0.000  1.0
  Sn  Sn8  1  0.653  0.195  0.500  1.0
  Sn  Sn9  1  0.805  0.500  0.653  1.0
  Sn  Sn10  1  0.500  0.347  0.806  1.0
  Sn  Sn11  1  0.347  0.805  0.500  1.0
  Sn  Sn12  1  0.195  0.500  0.347  1.0
  Sn  Sn13  1  0.500  0.653  0.194  1.0
  Sn  Sn14  1  0.653  0.805  0.500  1.0
  Sn  Sn15  1  0.805  0.500  0.347  1.0
  Sn  Sn16  1  0.347  0.195  0.500  1.0
  Sn  Sn17  1  0.195  0.500  0.653  1.0
  Sn  Sn18  1  0.500  0.653  0.806  1.0
  Sn  Sn19  1  0.500  0.347  0.194  1.0
  Sn  Sn20  1  0.153  0.000  0.694  1.0
  Sn  Sn21  1  0.306  0.153  1.000  1.0
  Sn  Sn22  1  0.000  0.306  0.847  1.0
  Sn  Sn23  1  0.847  0.000  0.306  1.0
  Sn  Sn24  1  0.694  0.847  1.000  1.0
  Sn  Sn25  1  1.000  0.694  0.153  1.0
  Sn  Sn26  1  0.153  0.000  0.305  1.0
  Sn  Sn27  1  0.306  0.847  1.000  1.0
  Sn  Sn28  1  0.847  0.000  0.694  1.0
  Sn  Sn29  1  0.694  0.153  1.000  1.0
  Sn  Sn30  1  1.000  0.306  0.153  1.0
  Sn  Sn31  1  1.000  0.694  0.847  1.0
  Ir  Ir32  1  0.750  0.250  0.750  1.0
  Ir  Ir33  1  0.250  0.750  0.250  1.0
  Ir  Ir34  1  0.750  0.750  0.250  1.0
  Ir  Ir35  1  0.250  0.250  0.750  1.0
  Ir  Ir36  1  0.250  0.750  0.750  1.0
  Ir  Ir37  1  0.750  0.250  0.250  1.0
  Ir  Ir38  1  0.250  0.250  0.250  1.0
  Ir  Ir39  1  0.750  0.750  0.750  1.0
[/CIF]
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