The compound described by Ir2B3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(2), and three equivalent B(3) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent B(2), three equivalent B(1), and three equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to one Ir(1), three equivalent Ir(2), two equivalent B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to three equivalent Ir(1), three equivalent Ir(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_B3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   5.477
_cell_length_c   6.250
_cell_angle_alpha   90.415
_cell_angle_beta   90.000
_cell_angle_gamma   73.465
_symmetry_Int_Tables_number   1
_cell_volume   102.286
_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
  B  B0  1  0.826  0.349  0.472  1.0
  B  B1  1  0.174  0.651  0.528  1.0
  B  B2  1  0.441  0.118  0.386  1.0
  B  B3  1  0.559  0.882  0.614  1.0
  B  B4  1  0.259  0.482  0.076  1.0
  B  B5  1  0.741  0.518  0.924  1.0
  Ir  Ir6  1  0.897  0.206  0.148  1.0
  Ir  Ir7  1  0.103  0.794  0.852  1.0
  Ir  Ir8  1  0.640  0.720  0.300  1.0
  Ir  Ir9  1  0.360  0.280  0.700  1.0
[/CIF]
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The compound described by Ir2B3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(2), and three equivalent B(3) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent B(2), three equivalent B(1), and three equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to one Ir(1), three equivalent Ir(2), two equivalent B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to three equivalent Ir(1), three equivalent Ir(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_B3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   5.477
_cell_length_c   6.250
_cell_angle_alpha   90.415
_cell_angle_beta   90.000
_cell_angle_gamma   73.465
_symmetry_Int_Tables_number   1
_cell_volume   102.286
_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
  B  B0  1  0.826  0.349  0.472  1.0
  B  B1  1  0.174  0.651  0.528  1.0
  B  B2  1  0.441  0.118  0.386  1.0
  B  B3  1  0.559  0.882  0.614  1.0
  B  B4  1  0.259  0.482  0.076  1.0
  B  B5  1  0.741  0.518  0.924  1.0
  Ir  Ir6  1  0.897  0.206  0.148  1.0
  Ir  Ir7  1  0.103  0.794  0.852  1.0
  Ir  Ir8  1  0.640  0.720  0.300  1.0
  Ir  Ir9  1  0.360  0.280  0.700  1.0
[/CIF]
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