The crystal structure described by PrB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Pr(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 Pr(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 Pr(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.425
_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
  Pr  Pr0  1  0.248  0.250  0.250  1.0
  Pr  Pr1  1  0.748  0.750  0.750  1.0
  B  B2  1  0.362  0.911  0.035  1.0
  B  B3  1  0.362  0.589  0.465  1.0
  B  B4  1  0.862  0.535  0.089  1.0
  B  B5  1  0.862  0.965  0.411  1.0
  B  B6  1  0.642  0.088  0.972  1.0
  B  B7  1  0.642  0.412  0.528  1.0
  B  B8  1  0.142  0.472  0.912  1.0
  B  B9  1  0.142  0.028  0.588  1.0
  Ir  Ir10  1  0.138  0.405  0.641  1.0
  Ir  Ir11  1  0.138  0.095  0.859  1.0
  Ir  Ir12  1  0.638  0.141  0.595  1.0
  Ir  Ir13  1  0.638  0.359  0.905  1.0
  Os  Os14  1  0.860  0.604  0.358  1.0
  Os  Os15  1  0.860  0.896  0.142  1.0
  Os  Os16  1  0.360  0.858  0.396  1.0
  Os  Os17  1  0.360  0.642  0.104  1.0
[/CIF]
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The crystal structure described by PrB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Pr(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 Pr(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 Pr(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.425
_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
  Pr  Pr0  1  0.248  0.250  0.250  1.0
  Pr  Pr1  1  0.748  0.750  0.750  1.0
  B  B2  1  0.362  0.911  0.035  1.0
  B  B3  1  0.362  0.589  0.465  1.0
  B  B4  1  0.862  0.535  0.089  1.0
  B  B5  1  0.862  0.965  0.411  1.0
  B  B6  1  0.642  0.088  0.972  1.0
  B  B7  1  0.642  0.412  0.528  1.0
  B  B8  1  0.142  0.472  0.912  1.0
  B  B9  1  0.142  0.028  0.588  1.0
  Ir  Ir10  1  0.138  0.405  0.641  1.0
  Ir  Ir11  1  0.138  0.095  0.859  1.0
  Ir  Ir12  1  0.638  0.141  0.595  1.0
  Ir  Ir13  1  0.638  0.359  0.905  1.0
  Os  Os14  1  0.860  0.604  0.358  1.0
  Os  Os15  1  0.860  0.896  0.142  1.0
  Os  Os16  1  0.360  0.858  0.396  1.0
  Os  Os17  1  0.360  0.642  0.104  1.0
[/CIF]
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