The material described by La5Ir3 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to two equivalent Ir(2) and three equivalent Ir(1) atoms. In the second La site, La(2) is bonded to four equivalent Ir(1) atoms to form edge-sharing LaIr4 tetrahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent La(2) and six equivalent La(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to eight equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   11.435
_cell_length_c   11.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   866.948
_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
  La  La0  1  0.399  0.843  0.543  1.0
  La  La1  1  0.899  0.657  0.543  1.0
  La  La2  1  0.899  0.843  0.957  1.0
  La  La3  1  0.399  0.657  0.957  1.0
  La  La4  1  0.899  0.543  0.843  1.0
  La  La5  1  0.399  0.957  0.843  1.0
  La  La6  1  0.399  0.543  0.657  1.0
  La  La7  1  0.899  0.957  0.657  1.0
  La  La8  1  0.601  0.157  0.457  1.0
  La  La9  1  0.101  0.343  0.457  1.0
  La  La10  1  0.101  0.157  0.043  1.0
  La  La11  1  0.601  0.343  0.043  1.0
  La  La12  1  0.101  0.457  0.157  1.0
  La  La13  1  0.601  0.043  0.157  1.0
  La  La14  1  0.601  0.457  0.343  1.0
  La  La15  1  0.101  0.043  0.343  1.0
  La  La16  1  0.500  0.750  0.250  1.0
  La  La17  1  0.000  0.750  0.250  1.0
  La  La18  1  0.000  0.250  0.750  1.0
  La  La19  1  0.500  0.250  0.750  1.0
  Ir  Ir20  1  0.250  0.904  0.096  1.0
  Ir  Ir21  1  0.750  0.596  0.096  1.0
  Ir  Ir22  1  0.750  0.904  0.404  1.0
  Ir  Ir23  1  0.250  0.596  0.404  1.0
  Ir  Ir24  1  0.750  0.096  0.904  1.0
  Ir  Ir25  1  0.250  0.404  0.904  1.0
  Ir  Ir26  1  0.250  0.096  0.596  1.0
  Ir  Ir27  1  0.750  0.404  0.596  1.0
  Ir  Ir28  1  0.133  0.750  0.750  1.0
  Ir  Ir29  1  0.633  0.750  0.750  1.0
  Ir  Ir30  1  0.867  0.250  0.250  1.0
  Ir  Ir31  1  0.367  0.250  0.250  1.0
[/CIF]
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The material described by La5Ir3 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to two equivalent Ir(2) and three equivalent Ir(1) atoms. In the second La site, La(2) is bonded to four equivalent Ir(1) atoms to form edge-sharing LaIr4 tetrahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent La(2) and six equivalent La(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to eight equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   11.435
_cell_length_c   11.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   866.948
_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
  La  La0  1  0.399  0.843  0.543  1.0
  La  La1  1  0.899  0.657  0.543  1.0
  La  La2  1  0.899  0.843  0.957  1.0
  La  La3  1  0.399  0.657  0.957  1.0
  La  La4  1  0.899  0.543  0.843  1.0
  La  La5  1  0.399  0.957  0.843  1.0
  La  La6  1  0.399  0.543  0.657  1.0
  La  La7  1  0.899  0.957  0.657  1.0
  La  La8  1  0.601  0.157  0.457  1.0
  La  La9  1  0.101  0.343  0.457  1.0
  La  La10  1  0.101  0.157  0.043  1.0
  La  La11  1  0.601  0.343  0.043  1.0
  La  La12  1  0.101  0.457  0.157  1.0
  La  La13  1  0.601  0.043  0.157  1.0
  La  La14  1  0.601  0.457  0.343  1.0
  La  La15  1  0.101  0.043  0.343  1.0
  La  La16  1  0.500  0.750  0.250  1.0
  La  La17  1  0.000  0.750  0.250  1.0
  La  La18  1  0.000  0.250  0.750  1.0
  La  La19  1  0.500  0.250  0.750  1.0
  Ir  Ir20  1  0.250  0.904  0.096  1.0
  Ir  Ir21  1  0.750  0.596  0.096  1.0
  Ir  Ir22  1  0.750  0.904  0.404  1.0
  Ir  Ir23  1  0.250  0.596  0.404  1.0
  Ir  Ir24  1  0.750  0.096  0.904  1.0
  Ir  Ir25  1  0.250  0.404  0.904  1.0
  Ir  Ir26  1  0.250  0.096  0.596  1.0
  Ir  Ir27  1  0.750  0.404  0.596  1.0
  Ir  Ir28  1  0.133  0.750  0.750  1.0
  Ir  Ir29  1  0.633  0.750  0.750  1.0
  Ir  Ir30  1  0.867  0.250  0.250  1.0
  Ir  Ir31  1  0.367  0.250  0.250  1.0
[/CIF]
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