The crystal structure described by Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 14-coordinate geometry to eight equivalent Ir(1) and six equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   6.129
_cell_angle_alpha   105.071
_cell_angle_beta   105.071
_cell_angle_gamma   114.887
_symmetry_Int_Tables_number   1
_cell_volume   147.386
_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
  Ca  Ca0  1  0.875  0.125  0.250  1.0
  Ca  Ca1  1  0.125  0.875  0.750  1.0
  B  B2  1  0.552  0.448  0.250  1.0
  B  B3  1  0.802  0.198  0.750  1.0
  B  B4  1  0.198  0.802  0.250  1.0
  B  B5  1  0.448  0.552  0.750  1.0
  Ir  Ir6  1  0.505  0.755  0.510  1.0
  Ir  Ir7  1  0.755  0.505  0.010  1.0
  Ir  Ir8  1  0.495  0.245  0.490  1.0
  Ir  Ir9  1  0.245  0.495  0.990  1.0
[/CIF]
.
The crystal structure described by Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 14-coordinate geometry to eight equivalent Ir(1) and six equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   6.129
_cell_angle_alpha   105.071
_cell_angle_beta   105.071
_cell_angle_gamma   114.887
_symmetry_Int_Tables_number   1
_cell_volume   147.386
_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
  Ca  Ca0  1  0.875  0.125  0.250  1.0
  Ca  Ca1  1  0.125  0.875  0.750  1.0
  B  B2  1  0.552  0.448  0.250  1.0
  B  B3  1  0.802  0.198  0.750  1.0
  B  B4  1  0.198  0.802  0.250  1.0
  B  B5  1  0.448  0.552  0.750  1.0
  Ir  Ir6  1  0.505  0.755  0.510  1.0
  Ir  Ir7  1  0.755  0.505  0.010  1.0
  Ir  Ir8  1  0.495  0.245  0.490  1.0
  Ir  Ir9  1  0.245  0.495  0.990  1.0
[/CIF]
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