The crystal structure described by Mo2IrB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to two equivalent B(2) and three equivalent B(1) atoms. Ir(1) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Mo(2), four equivalent Mo(1), one Ir(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2Mo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.257
_cell_length_b   7.412
_cell_length_c   9.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.304
_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
  B  B0  1  0.500  0.125  0.263  1.0
  B  B1  1  0.000  0.616  0.040  1.0
  B  B2  1  0.000  0.384  0.960  1.0
  B  B3  1  0.000  0.375  0.763  1.0
  B  B4  1  0.500  0.116  0.460  1.0
  B  B5  1  0.000  0.625  0.237  1.0
  B  B6  1  0.500  0.875  0.737  1.0
  B  B7  1  0.500  0.884  0.540  1.0
  Mo  Mo8  1  0.500  0.428  0.138  1.0
  Mo  Mo9  1  0.000  0.072  0.638  1.0
  Mo  Mo10  1  0.000  0.690  0.630  1.0
  Mo  Mo11  1  0.500  0.810  0.131  1.0
  Mo  Mo12  1  0.500  0.190  0.870  1.0
  Mo  Mo13  1  0.000  0.310  0.369  1.0
  Mo  Mo14  1  0.500  0.572  0.862  1.0
  Mo  Mo15  1  0.000  0.928  0.362  1.0
  Ir  Ir16  1  0.500  0.621  0.389  1.0
  Ir  Ir17  1  0.000  0.121  0.111  1.0
  Ir  Ir18  1  0.000  0.879  0.889  1.0
  Ir  Ir19  1  0.500  0.379  0.611  1.0
[/CIF]
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The crystal structure described by Mo2IrB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to two equivalent B(2) and three equivalent B(1) atoms. Ir(1) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Mo(2), four equivalent Mo(1), one Ir(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2Mo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.257
_cell_length_b   7.412
_cell_length_c   9.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.304
_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
  B  B0  1  0.500  0.125  0.263  1.0
  B  B1  1  0.000  0.616  0.040  1.0
  B  B2  1  0.000  0.384  0.960  1.0
  B  B3  1  0.000  0.375  0.763  1.0
  B  B4  1  0.500  0.116  0.460  1.0
  B  B5  1  0.000  0.625  0.237  1.0
  B  B6  1  0.500  0.875  0.737  1.0
  B  B7  1  0.500  0.884  0.540  1.0
  Mo  Mo8  1  0.500  0.428  0.138  1.0
  Mo  Mo9  1  0.000  0.072  0.638  1.0
  Mo  Mo10  1  0.000  0.690  0.630  1.0
  Mo  Mo11  1  0.500  0.810  0.131  1.0
  Mo  Mo12  1  0.500  0.190  0.870  1.0
  Mo  Mo13  1  0.000  0.310  0.369  1.0
  Mo  Mo14  1  0.500  0.572  0.862  1.0
  Mo  Mo15  1  0.000  0.928  0.362  1.0
  Ir  Ir16  1  0.500  0.621  0.389  1.0
  Ir  Ir17  1  0.000  0.121  0.111  1.0
  Ir  Ir18  1  0.000  0.879  0.889  1.0
  Ir  Ir19  1  0.500  0.379  0.611  1.0
[/CIF]
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