The compound described by La7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the second La site, La(3) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the third La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), and three equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   119.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.620
_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  0.467  0.333  0.667  1.0
  La  La1  1  0.967  0.667  0.333  1.0
  La  La2  1  0.250  0.126  0.874  1.0
  La  La3  1  0.250  0.749  0.874  1.0
  La  La4  1  0.250  0.126  0.251  1.0
  La  La5  1  0.750  0.874  0.126  1.0
  La  La6  1  0.750  0.251  0.126  1.0
  La  La7  1  0.750  0.874  0.749  1.0
  La  La8  1  0.440  0.540  0.460  1.0
  La  La9  1  0.440  0.920  0.460  1.0
  La  La10  1  0.440  0.540  0.080  1.0
  La  La11  1  0.940  0.460  0.540  1.0
  La  La12  1  0.940  0.080  0.540  1.0
  La  La13  1  0.940  0.460  0.920  1.0
  Ir  Ir14  1  0.188  0.811  0.189  1.0
  Ir  Ir15  1  0.188  0.378  0.189  1.0
  Ir  Ir16  1  0.188  0.811  0.622  1.0
  Ir  Ir17  1  0.688  0.189  0.811  1.0
  Ir  Ir18  1  0.688  0.622  0.811  1.0
  Ir  Ir19  1  0.688  0.189  0.378  1.0
[/CIF]
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The compound described by La7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the second La site, La(3) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the third La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), and three equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   119.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.620
_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  0.467  0.333  0.667  1.0
  La  La1  1  0.967  0.667  0.333  1.0
  La  La2  1  0.250  0.126  0.874  1.0
  La  La3  1  0.250  0.749  0.874  1.0
  La  La4  1  0.250  0.126  0.251  1.0
  La  La5  1  0.750  0.874  0.126  1.0
  La  La6  1  0.750  0.251  0.126  1.0
  La  La7  1  0.750  0.874  0.749  1.0
  La  La8  1  0.440  0.540  0.460  1.0
  La  La9  1  0.440  0.920  0.460  1.0
  La  La10  1  0.440  0.540  0.080  1.0
  La  La11  1  0.940  0.460  0.540  1.0
  La  La12  1  0.940  0.080  0.540  1.0
  La  La13  1  0.940  0.460  0.920  1.0
  Ir  Ir14  1  0.188  0.811  0.189  1.0
  Ir  Ir15  1  0.188  0.378  0.189  1.0
  Ir  Ir16  1  0.188  0.811  0.622  1.0
  Ir  Ir17  1  0.688  0.189  0.811  1.0
  Ir  Ir18  1  0.688  0.622  0.811  1.0
  Ir  Ir19  1  0.688  0.189  0.378  1.0
[/CIF]
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