The structure described by CeB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(2) atoms. Os(1) is bonded in a 4-coordinate geometry to one B(2) and three equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to 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 one Ce(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 one Ce(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CeB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   4.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.071
_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
  Ce  Ce0  1  0.000  0.500  0.246  1.0
  Ce  Ce1  1  0.500  0.000  0.746  1.0
  B  B2  1  0.784  0.161  0.364  1.0
  B  B3  1  0.216  0.839  0.364  1.0
  B  B4  1  0.839  0.784  0.864  1.0
  B  B5  1  0.161  0.216  0.864  1.0
  B  B6  1  0.722  0.338  0.641  1.0
  B  B7  1  0.278  0.662  0.641  1.0
  B  B8  1  0.662  0.722  0.141  1.0
  B  B9  1  0.338  0.278  0.141  1.0
  Ir  Ir10  1  0.390  0.658  0.137  1.0
  Ir  Ir11  1  0.610  0.342  0.137  1.0
  Ir  Ir12  1  0.342  0.390  0.637  1.0
  Ir  Ir13  1  0.658  0.610  0.637  1.0
  Os  Os14  1  0.110  0.854  0.860  1.0
  Os  Os15  1  0.890  0.146  0.860  1.0
  Os  Os16  1  0.146  0.110  0.360  1.0
  Os  Os17  1  0.854  0.890  0.360  1.0
[/CIF]
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The structure described by CeB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(2) atoms. Os(1) is bonded in a 4-coordinate geometry to one B(2) and three equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to 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 one Ce(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 one Ce(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CeB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   4.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.071
_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
  Ce  Ce0  1  0.000  0.500  0.246  1.0
  Ce  Ce1  1  0.500  0.000  0.746  1.0
  B  B2  1  0.784  0.161  0.364  1.0
  B  B3  1  0.216  0.839  0.364  1.0
  B  B4  1  0.839  0.784  0.864  1.0
  B  B5  1  0.161  0.216  0.864  1.0
  B  B6  1  0.722  0.338  0.641  1.0
  B  B7  1  0.278  0.662  0.641  1.0
  B  B8  1  0.662  0.722  0.141  1.0
  B  B9  1  0.338  0.278  0.141  1.0
  Ir  Ir10  1  0.390  0.658  0.137  1.0
  Ir  Ir11  1  0.610  0.342  0.137  1.0
  Ir  Ir12  1  0.342  0.390  0.637  1.0
  Ir  Ir13  1  0.658  0.610  0.637  1.0
  Os  Os14  1  0.110  0.854  0.860  1.0
  Os  Os15  1  0.890  0.146  0.860  1.0
  Os  Os16  1  0.146  0.110  0.360  1.0
  Os  Os17  1  0.854  0.890  0.360  1.0
[/CIF]
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