The compound described by Mg2Ir5GaB2 crystallizes in the tetragonal P4/mbm space group. Mg(1) is bonded in a 15-coordinate geometry to two equivalent Mg(1), two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ga(1), and two equivalent B(1) atoms. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. B(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Mg2GaB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.494
_cell_length_b   9.494
_cell_length_c   2.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.092
_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
  Mg  Mg0  1  0.825  0.325  0.000  1.0
  Mg  Mg1  1  0.175  0.675  0.000  1.0
  Mg  Mg2  1  0.325  0.175  0.000  1.0
  Mg  Mg3  1  0.675  0.825  0.000  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.627  0.127  0.000  1.0
  B  B7  1  0.373  0.873  0.000  1.0
  B  B8  1  0.127  0.373  0.000  1.0
  B  B9  1  0.873  0.627  0.000  1.0
  Ir  Ir10  1  0.500  0.000  0.500  1.0
  Ir  Ir11  1  0.000  0.500  0.500  1.0
  Ir  Ir12  1  0.715  0.572  0.500  1.0
  Ir  Ir13  1  0.285  0.428  0.500  1.0
  Ir  Ir14  1  0.215  0.928  0.500  1.0
  Ir  Ir15  1  0.785  0.072  0.500  1.0
  Ir  Ir16  1  0.428  0.715  0.500  1.0
  Ir  Ir17  1  0.572  0.285  0.500  1.0
  Ir  Ir18  1  0.072  0.215  0.500  1.0
  Ir  Ir19  1  0.928  0.785  0.500  1.0
[/CIF]
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The compound described by Mg2Ir5GaB2 crystallizes in the tetragonal P4/mbm space group. Mg(1) is bonded in a 15-coordinate geometry to two equivalent Mg(1), two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ga(1), and two equivalent B(1) atoms. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. B(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Mg2GaB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.494
_cell_length_b   9.494
_cell_length_c   2.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.092
_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
  Mg  Mg0  1  0.825  0.325  0.000  1.0
  Mg  Mg1  1  0.175  0.675  0.000  1.0
  Mg  Mg2  1  0.325  0.175  0.000  1.0
  Mg  Mg3  1  0.675  0.825  0.000  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.627  0.127  0.000  1.0
  B  B7  1  0.373  0.873  0.000  1.0
  B  B8  1  0.127  0.373  0.000  1.0
  B  B9  1  0.873  0.627  0.000  1.0
  Ir  Ir10  1  0.500  0.000  0.500  1.0
  Ir  Ir11  1  0.000  0.500  0.500  1.0
  Ir  Ir12  1  0.715  0.572  0.500  1.0
  Ir  Ir13  1  0.285  0.428  0.500  1.0
  Ir  Ir14  1  0.215  0.928  0.500  1.0
  Ir  Ir15  1  0.785  0.072  0.500  1.0
  Ir  Ir16  1  0.428  0.715  0.500  1.0
  Ir  Ir17  1  0.572  0.285  0.500  1.0
  Ir  Ir18  1  0.072  0.215  0.500  1.0
  Ir  Ir19  1  0.928  0.785  0.500  1.0
[/CIF]
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