The crystal structure described by Fe9Ir3B4 crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one B(4) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one B(3) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one B(2), one B(3), and one B(4) atom. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one B(1), one B(3), and one B(4) atom. In the fifth Fe site, Fe(5) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one B(3) and two equivalent B(4) atoms. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one B(4) and two equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and two equivalent Ir(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and one Ir(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Ir(2), and two equivalent Ir(3) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ir(3), and two equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Fe9B4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   4.469
_cell_length_c   5.440
_cell_angle_alpha   89.956
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.808
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.185  0.646  0.325  1.0
  Fe  Fe1  1  0.811  0.859  0.818  1.0
  Fe  Fe2  1  0.694  0.359  0.677  1.0
  Fe  Fe3  1  0.306  0.143  0.179  1.0
  Fe  Fe4  1  0.306  0.359  0.677  1.0
  Fe  Fe5  1  0.694  0.143  0.179  1.0
  Fe  Fe6  1  0.815  0.646  0.325  1.0
  Fe  Fe7  1  0.189  0.859  0.818  1.0
  Fe  Fe8  1  0.000  0.126  0.473  1.0
  B  B9  1  0.000  0.916  0.118  1.0
  B  B10  1  0.000  0.576  0.619  1.0
  B  B11  1  0.500  0.086  0.884  1.0
  B  B12  1  0.500  0.415  0.381  1.0
  Ir  Ir13  1  0.000  0.365  0.972  1.0
  Ir  Ir14  1  0.500  0.871  0.526  1.0
  Ir  Ir15  1  0.500  0.632  0.030  1.0
[/CIF]
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The crystal structure described by Fe9Ir3B4 crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one B(4) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one B(3) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one B(2), one B(3), and one B(4) atom. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one B(1), one B(3), and one B(4) atom. In the fifth Fe site, Fe(5) is bonded in a 2-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one B(3) and two equivalent B(4) atoms. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one B(4) and two equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and two equivalent Ir(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and one Ir(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Ir(2), and two equivalent Ir(3) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ir(3), and two equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Fe9B4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   4.469
_cell_length_c   5.440
_cell_angle_alpha   89.956
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.808
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.185  0.646  0.325  1.0
  Fe  Fe1  1  0.811  0.859  0.818  1.0
  Fe  Fe2  1  0.694  0.359  0.677  1.0
  Fe  Fe3  1  0.306  0.143  0.179  1.0
  Fe  Fe4  1  0.306  0.359  0.677  1.0
  Fe  Fe5  1  0.694  0.143  0.179  1.0
  Fe  Fe6  1  0.815  0.646  0.325  1.0
  Fe  Fe7  1  0.189  0.859  0.818  1.0
  Fe  Fe8  1  0.000  0.126  0.473  1.0
  B  B9  1  0.000  0.916  0.118  1.0
  B  B10  1  0.000  0.576  0.619  1.0
  B  B11  1  0.500  0.086  0.884  1.0
  B  B12  1  0.500  0.415  0.381  1.0
  Ir  Ir13  1  0.000  0.365  0.972  1.0
  Ir  Ir14  1  0.500  0.871  0.526  1.0
  Ir  Ir15  1  0.500  0.632  0.030  1.0
[/CIF]
.