The structure described by LaB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Os(1), four equivalent Ir(1), six equivalent B(1), and six equivalent B(2) atoms. Os(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one B(2), and three equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one B(1), and three equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), three equivalent Os(1), one Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent La(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF file [CIF]
data_LaB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.015
_cell_length_b   7.687
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.239
_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  0.251  0.250  0.250  1.0
  La  La1  1  0.751  0.750  0.750  1.0
  B  B2  1  0.360  0.911  0.035  1.0
  B  B3  1  0.360  0.589  0.465  1.0
  B  B4  1  0.860  0.535  0.089  1.0
  B  B5  1  0.860  0.965  0.411  1.0
  B  B6  1  0.643  0.086  0.970  1.0
  B  B7  1  0.643  0.414  0.530  1.0
  B  B8  1  0.143  0.470  0.914  1.0
  B  B9  1  0.143  0.030  0.586  1.0
  Ir  Ir10  1  0.140  0.402  0.640  1.0
  Ir  Ir11  1  0.140  0.098  0.860  1.0
  Ir  Ir12  1  0.640  0.140  0.598  1.0
  Ir  Ir13  1  0.640  0.360  0.902  1.0
  Os  Os14  1  0.857  0.605  0.359  1.0
  Os  Os15  1  0.857  0.895  0.141  1.0
  Os  Os16  1  0.357  0.859  0.395  1.0
  Os  Os17  1  0.357  0.641  0.105  1.0
[/CIF]
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The structure described by LaB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Os(1), four equivalent Ir(1), six equivalent B(1), and six equivalent B(2) atoms. Os(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one B(2), and three equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one B(1), and three equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), three equivalent Os(1), one Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent La(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF file [CIF]
data_LaB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.015
_cell_length_b   7.687
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.239
_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  0.251  0.250  0.250  1.0
  La  La1  1  0.751  0.750  0.750  1.0
  B  B2  1  0.360  0.911  0.035  1.0
  B  B3  1  0.360  0.589  0.465  1.0
  B  B4  1  0.860  0.535  0.089  1.0
  B  B5  1  0.860  0.965  0.411  1.0
  B  B6  1  0.643  0.086  0.970  1.0
  B  B7  1  0.643  0.414  0.530  1.0
  B  B8  1  0.143  0.470  0.914  1.0
  B  B9  1  0.143  0.030  0.586  1.0
  Ir  Ir10  1  0.140  0.402  0.640  1.0
  Ir  Ir11  1  0.140  0.098  0.860  1.0
  Ir  Ir12  1  0.640  0.140  0.598  1.0
  Ir  Ir13  1  0.640  0.360  0.902  1.0
  Os  Os14  1  0.857  0.605  0.359  1.0
  Os  Os15  1  0.857  0.895  0.141  1.0
  Os  Os16  1  0.357  0.859  0.395  1.0
  Os  Os17  1  0.357  0.641  0.105  1.0
[/CIF]
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