The material described by Ir7Zn5B3 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to two equivalent Zn(3) and four equivalent Zn(1) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(1) atoms. In the fourth Ir site, Ir(4) is bonded in a 10-coordinate geometry to two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the fifth Ir site, Ir(5) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(2) and four equivalent B(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), four equivalent Ir(1), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ir(3), two equivalent Ir(4), two equivalent Ir(5), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(4), four equivalent Ir(1), and two equivalent Zn(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second B site, B(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Zn5B3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.823
_cell_length_b   11.466
_cell_length_c   12.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.250
_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
  Zn  Zn0  1  0.500  0.937  0.157  1.0
  Zn  Zn1  1  0.500  0.563  0.157  1.0
  Zn  Zn2  1  0.500  0.366  0.639  1.0
  Zn  Zn3  1  0.500  0.134  0.639  1.0
  Zn  Zn4  1  0.500  0.063  0.843  1.0
  Zn  Zn5  1  0.500  0.437  0.843  1.0
  Zn  Zn6  1  0.500  0.750  0.034  1.0
  Zn  Zn7  1  0.500  0.866  0.361  1.0
  Zn  Zn8  1  0.500  0.634  0.361  1.0
  Zn  Zn9  1  0.500  0.250  0.966  1.0
  B  B10  1  0.500  0.881  0.589  1.0
  B  B11  1  0.500  0.381  0.411  1.0
  B  B12  1  0.500  0.250  0.226  1.0
  B  B13  1  0.500  0.119  0.411  1.0
  B  B14  1  0.500  0.619  0.589  1.0
  B  B15  1  0.500  0.750  0.774  1.0
  Ir  Ir16  1  0.000  0.593  0.942  1.0
  Ir  Ir17  1  0.000  0.887  0.724  1.0
  Ir  Ir18  1  0.000  0.907  0.942  1.0
  Ir  Ir19  1  0.000  0.250  0.475  1.0
  Ir  Ir20  1  0.000  0.250  0.784  1.0
  Ir  Ir21  1  0.000  0.407  0.058  1.0
  Ir  Ir22  1  0.000  0.613  0.724  1.0
  Ir  Ir23  1  0.000  0.113  0.276  1.0
  Ir  Ir24  1  0.000  0.387  0.276  1.0
  Ir  Ir25  1  0.000  0.000  0.500  1.0
  Ir  Ir26  1  0.000  0.750  0.525  1.0
  Ir  Ir27  1  0.000  0.750  0.216  1.0
  Ir  Ir28  1  0.000  0.093  0.058  1.0
  Ir  Ir29  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Ir7Zn5B3 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to two equivalent Zn(3) and four equivalent Zn(1) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(1) atoms. In the fourth Ir site, Ir(4) is bonded in a 10-coordinate geometry to two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the fifth Ir site, Ir(5) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(2) and four equivalent B(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), four equivalent Ir(1), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ir(3), two equivalent Ir(4), two equivalent Ir(5), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(4), four equivalent Ir(1), and two equivalent Zn(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second B site, B(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Zn5B3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.823
_cell_length_b   11.466
_cell_length_c   12.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.250
_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
  Zn  Zn0  1  0.500  0.937  0.157  1.0
  Zn  Zn1  1  0.500  0.563  0.157  1.0
  Zn  Zn2  1  0.500  0.366  0.639  1.0
  Zn  Zn3  1  0.500  0.134  0.639  1.0
  Zn  Zn4  1  0.500  0.063  0.843  1.0
  Zn  Zn5  1  0.500  0.437  0.843  1.0
  Zn  Zn6  1  0.500  0.750  0.034  1.0
  Zn  Zn7  1  0.500  0.866  0.361  1.0
  Zn  Zn8  1  0.500  0.634  0.361  1.0
  Zn  Zn9  1  0.500  0.250  0.966  1.0
  B  B10  1  0.500  0.881  0.589  1.0
  B  B11  1  0.500  0.381  0.411  1.0
  B  B12  1  0.500  0.250  0.226  1.0
  B  B13  1  0.500  0.119  0.411  1.0
  B  B14  1  0.500  0.619  0.589  1.0
  B  B15  1  0.500  0.750  0.774  1.0
  Ir  Ir16  1  0.000  0.593  0.942  1.0
  Ir  Ir17  1  0.000  0.887  0.724  1.0
  Ir  Ir18  1  0.000  0.907  0.942  1.0
  Ir  Ir19  1  0.000  0.250  0.475  1.0
  Ir  Ir20  1  0.000  0.250  0.784  1.0
  Ir  Ir21  1  0.000  0.407  0.058  1.0
  Ir  Ir22  1  0.000  0.613  0.724  1.0
  Ir  Ir23  1  0.000  0.113  0.276  1.0
  Ir  Ir24  1  0.000  0.387  0.276  1.0
  Ir  Ir25  1  0.000  0.000  0.500  1.0
  Ir  Ir26  1  0.000  0.750  0.525  1.0
  Ir  Ir27  1  0.000  0.750  0.216  1.0
  Ir  Ir28  1  0.000  0.093  0.058  1.0
  Ir  Ir29  1  0.000  0.500  0.500  1.0
[/CIF]
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