The material described by La5Ir2 crystallizes in the monoclinic C2/c space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Ir(1) atoms. In the second La site, La(3) is bonded to four equivalent Ir(1) atoms to form distorted edge-sharing LaIr4 tetrahedra. 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 8-coordinate geometry to two equivalent La(3), three equivalent La(1), and three equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.841
_cell_length_b   7.385
_cell_length_c   9.187
_cell_angle_alpha   94.891
_cell_angle_beta   111.859
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.919
_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  0.986  0.910  0.183  1.0
  La  La1  1  0.802  0.590  0.817  1.0
  La  La2  1  0.014  0.090  0.817  1.0
  La  La3  1  0.198  0.410  0.183  1.0
  La  La4  1  0.650  0.829  0.431  1.0
  La  La5  1  0.219  0.671  0.569  1.0
  La  La6  1  0.350  0.171  0.569  1.0
  La  La7  1  0.781  0.329  0.431  1.0
  La  La8  1  0.427  0.750  0.000  1.0
  La  La9  1  0.573  0.250  0.000  1.0
  Ir  Ir10  1  0.822  0.581  0.225  1.0
  Ir  Ir11  1  0.597  0.919  0.775  1.0
  Ir  Ir12  1  0.178  0.419  0.775  1.0
  Ir  Ir13  1  0.403  0.081  0.225  1.0
[/CIF]
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The material described by La5Ir2 crystallizes in the monoclinic C2/c space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Ir(1) atoms. In the second La site, La(3) is bonded to four equivalent Ir(1) atoms to form distorted edge-sharing LaIr4 tetrahedra. 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 8-coordinate geometry to two equivalent La(3), three equivalent La(1), and three equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.841
_cell_length_b   7.385
_cell_length_c   9.187
_cell_angle_alpha   94.891
_cell_angle_beta   111.859
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.919
_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  0.986  0.910  0.183  1.0
  La  La1  1  0.802  0.590  0.817  1.0
  La  La2  1  0.014  0.090  0.817  1.0
  La  La3  1  0.198  0.410  0.183  1.0
  La  La4  1  0.650  0.829  0.431  1.0
  La  La5  1  0.219  0.671  0.569  1.0
  La  La6  1  0.350  0.171  0.569  1.0
  La  La7  1  0.781  0.329  0.431  1.0
  La  La8  1  0.427  0.750  0.000  1.0
  La  La9  1  0.573  0.250  0.000  1.0
  Ir  Ir10  1  0.822  0.581  0.225  1.0
  Ir  Ir11  1  0.597  0.919  0.775  1.0
  Ir  Ir12  1  0.178  0.419  0.775  1.0
  Ir  Ir13  1  0.403  0.081  0.225  1.0
[/CIF]
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