The material structure described by Ir11Zn6B5 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(1) atoms. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(4), two equivalent B(1), and two equivalent B(3) atoms. In the fifth Ir site, Ir(5) is bonded in a 4-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), and two equivalent B(2) atoms. In the sixth Ir site, Ir(6) is bonded in a 6-coordinate geometry to four equivalent Zn(5) and two equivalent B(3) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), one Zn(2), one Zn(3), two equivalent Zn(1), and two equivalent B(1) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), four equivalent Ir(3), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to four equivalent Ir(2), four equivalent Ir(3), and one Zn(1) atom. In the fourth Zn site, Zn(4) is bonded in a distorted body-centered cubic geometry to four equivalent Ir(4) and four equivalent Ir(5) atoms. In the fifth Zn site, Zn(5) is bonded in a 9-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), two equivalent Ir(6), and one B(2) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(4), and one Zn(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), two equivalent Ir(5), and one Zn(5) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(6) and four equivalent Ir(4) atoms. is represented by the CIF file [CIF]
data_Zn6B5Ir11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   8.464
_cell_length_c   11.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.995
_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
  Zn  Zn0  1  0.500  0.344  0.500  1.0
  Zn  Zn1  1  0.500  0.642  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.500  0.516  0.000  1.0
  Zn  Zn4  1  0.500  0.987  0.200  1.0
  Zn  Zn5  1  0.500  0.987  0.800  1.0
  B  B6  1  0.500  0.317  0.266  1.0
  B  B7  1  0.500  0.685  0.257  1.0
  B  B8  1  0.500  0.685  0.743  1.0
  B  B9  1  0.500  0.317  0.734  1.0
  B  B10  1  0.500  0.181  0.000  1.0
  Ir  Ir11  1  0.000  0.500  0.319  1.0
  Ir  Ir12  1  0.000  0.500  0.681  1.0
  Ir  Ir13  1  0.000  0.167  0.350  1.0
  Ir  Ir14  1  0.000  0.824  0.358  1.0
  Ir  Ir15  1  0.000  0.824  0.642  1.0
  Ir  Ir16  1  0.000  0.167  0.650  1.0
  Ir  Ir17  1  0.000  0.298  0.121  1.0
  Ir  Ir18  1  0.000  0.727  0.119  1.0
  Ir  Ir19  1  0.000  0.727  0.881  1.0
  Ir  Ir20  1  0.000  0.298  0.879  1.0
  Ir  Ir21  1  0.000  0.001  0.000  1.0
[/CIF]
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The material structure described by Ir11Zn6B5 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(1) atoms. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(4), two equivalent B(1), and two equivalent B(3) atoms. In the fifth Ir site, Ir(5) is bonded in a 4-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), and two equivalent B(2) atoms. In the sixth Ir site, Ir(6) is bonded in a 6-coordinate geometry to four equivalent Zn(5) and two equivalent B(3) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), one Zn(2), one Zn(3), two equivalent Zn(1), and two equivalent B(1) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), four equivalent Ir(3), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to four equivalent Ir(2), four equivalent Ir(3), and one Zn(1) atom. In the fourth Zn site, Zn(4) is bonded in a distorted body-centered cubic geometry to four equivalent Ir(4) and four equivalent Ir(5) atoms. In the fifth Zn site, Zn(5) is bonded in a 9-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), two equivalent Ir(6), and one B(2) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(4), and one Zn(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), two equivalent Ir(5), and one Zn(5) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(6) and four equivalent Ir(4) atoms. is represented by the CIF file [CIF]
data_Zn6B5Ir11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   8.464
_cell_length_c   11.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.995
_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
  Zn  Zn0  1  0.500  0.344  0.500  1.0
  Zn  Zn1  1  0.500  0.642  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.500  0.516  0.000  1.0
  Zn  Zn4  1  0.500  0.987  0.200  1.0
  Zn  Zn5  1  0.500  0.987  0.800  1.0
  B  B6  1  0.500  0.317  0.266  1.0
  B  B7  1  0.500  0.685  0.257  1.0
  B  B8  1  0.500  0.685  0.743  1.0
  B  B9  1  0.500  0.317  0.734  1.0
  B  B10  1  0.500  0.181  0.000  1.0
  Ir  Ir11  1  0.000  0.500  0.319  1.0
  Ir  Ir12  1  0.000  0.500  0.681  1.0
  Ir  Ir13  1  0.000  0.167  0.350  1.0
  Ir  Ir14  1  0.000  0.824  0.358  1.0
  Ir  Ir15  1  0.000  0.824  0.642  1.0
  Ir  Ir16  1  0.000  0.167  0.650  1.0
  Ir  Ir17  1  0.000  0.298  0.121  1.0
  Ir  Ir18  1  0.000  0.727  0.119  1.0
  Ir  Ir19  1  0.000  0.727  0.881  1.0
  Ir  Ir20  1  0.000  0.298  0.879  1.0
  Ir  Ir21  1  0.000  0.001  0.000  1.0
[/CIF]
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