The crystal structure described by La(IrB)2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fddd space group. La(1) is bonded to four equivalent Ir(1) and four equivalent B(1) atoms to form distorted face-sharing LaB4Ir4 hexagonal bipyramids. Ir(1) is bonded in a 7-coordinate geometry to two equivalent La(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent La(1), five equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_La(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   6.592
_cell_length_c   8.441
_cell_angle_alpha   113.010
_cell_angle_beta   113.010
_cell_angle_gamma   89.944
_symmetry_Int_Tables_number   1
_cell_volume   305.742
_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  0.625  0.875  0.750  1.0
  La  La1  1  0.125  0.875  0.750  1.0
  La  La2  1  0.125  0.375  0.250  1.0
  La  La3  1  0.125  0.875  0.250  1.0
  B  B4  1  0.389  0.256  0.785  1.0
  B  B5  1  0.397  0.529  0.785  1.0
  B  B6  1  0.744  0.611  0.215  1.0
  B  B7  1  0.861  0.494  0.715  1.0
  B  B8  1  0.471  0.603  0.215  1.0
  B  B9  1  0.853  0.221  0.715  1.0
  B  B10  1  0.506  0.139  0.285  1.0
  B  B11  1  0.779  0.147  0.285  1.0
  Ir  Ir12  1  0.181  0.468  0.937  1.0
  Ir  Ir13  1  0.756  0.469  0.937  1.0
  Ir  Ir14  1  0.532  0.819  0.063  1.0
  Ir  Ir15  1  0.069  0.282  0.563  1.0
  Ir  Ir16  1  0.531  0.244  0.063  1.0
  Ir  Ir17  1  0.494  0.281  0.563  1.0
  Ir  Ir18  1  0.718  0.931  0.437  1.0
  Ir  Ir19  1  0.719  0.506  0.437  1.0
[/CIF]
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The crystal structure described by La(IrB)2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fddd space group. La(1) is bonded to four equivalent Ir(1) and four equivalent B(1) atoms to form distorted face-sharing LaB4Ir4 hexagonal bipyramids. Ir(1) is bonded in a 7-coordinate geometry to two equivalent La(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent La(1), five equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_La(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   6.592
_cell_length_c   8.441
_cell_angle_alpha   113.010
_cell_angle_beta   113.010
_cell_angle_gamma   89.944
_symmetry_Int_Tables_number   1
_cell_volume   305.742
_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  0.625  0.875  0.750  1.0
  La  La1  1  0.125  0.875  0.750  1.0
  La  La2  1  0.125  0.375  0.250  1.0
  La  La3  1  0.125  0.875  0.250  1.0
  B  B4  1  0.389  0.256  0.785  1.0
  B  B5  1  0.397  0.529  0.785  1.0
  B  B6  1  0.744  0.611  0.215  1.0
  B  B7  1  0.861  0.494  0.715  1.0
  B  B8  1  0.471  0.603  0.215  1.0
  B  B9  1  0.853  0.221  0.715  1.0
  B  B10  1  0.506  0.139  0.285  1.0
  B  B11  1  0.779  0.147  0.285  1.0
  Ir  Ir12  1  0.181  0.468  0.937  1.0
  Ir  Ir13  1  0.756  0.469  0.937  1.0
  Ir  Ir14  1  0.532  0.819  0.063  1.0
  Ir  Ir15  1  0.069  0.282  0.563  1.0
  Ir  Ir16  1  0.531  0.244  0.063  1.0
  Ir  Ir17  1  0.494  0.281  0.563  1.0
  Ir  Ir18  1  0.718  0.931  0.437  1.0
  Ir  Ir19  1  0.719  0.506  0.437  1.0
[/CIF]
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