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 body-centered cubic geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and two equivalent B(1) atoms. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), two equivalent Zn(2), and one B(1) atom. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(5), four equivalent Ir(4), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), and one Zn(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), 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), and two equivalent Ir(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn5B3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.864
_cell_length_b   10.955
_cell_length_c   12.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.337
_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  0.750  0.063  1.0
  Zn  Zn1  1  0.500  0.250  0.937  1.0
  Zn  Zn2  1  0.500  0.450  0.846  1.0
  Zn  Zn3  1  0.500  0.550  0.154  1.0
  Zn  Zn4  1  0.500  0.950  0.154  1.0
  Zn  Zn5  1  0.500  0.050  0.846  1.0
  Zn  Zn6  1  0.500  0.382  0.643  1.0
  Zn  Zn7  1  0.500  0.618  0.357  1.0
  Zn  Zn8  1  0.500  0.882  0.357  1.0
  Zn  Zn9  1  0.500  0.118  0.643  1.0
  B  B10  1  0.500  0.750  0.849  1.0
  B  B11  1  0.500  0.250  0.151  1.0
  B  B12  1  0.500  0.876  0.591  1.0
  B  B13  1  0.500  0.124  0.409  1.0
  B  B14  1  0.500  0.376  0.409  1.0
  B  B15  1  0.500  0.624  0.591  1.0
  Ir  Ir16  1  0.000  0.000  0.500  1.0
  Ir  Ir17  1  0.000  0.500  0.500  1.0
  Ir  Ir18  1  0.000  0.750  0.231  1.0
  Ir  Ir19  1  0.000  0.250  0.769  1.0
  Ir  Ir20  1  0.000  0.750  0.514  1.0
  Ir  Ir21  1  0.000  0.250  0.486  1.0
  Ir  Ir22  1  0.000  0.879  0.935  1.0
  Ir  Ir23  1  0.000  0.121  0.065  1.0
  Ir  Ir24  1  0.000  0.379  0.065  1.0
  Ir  Ir25  1  0.000  0.621  0.935  1.0
  Ir  Ir26  1  0.000  0.889  0.718  1.0
  Ir  Ir27  1  0.000  0.111  0.282  1.0
  Ir  Ir28  1  0.000  0.389  0.282  1.0
  Ir  Ir29  1  0.000  0.611  0.718  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 body-centered cubic geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and two equivalent B(1) atoms. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), two equivalent Zn(2), and one B(1) atom. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(5), four equivalent Ir(4), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), and one Zn(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), 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), and two equivalent Ir(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn5B3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.864
_cell_length_b   10.955
_cell_length_c   12.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.337
_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  0.750  0.063  1.0
  Zn  Zn1  1  0.500  0.250  0.937  1.0
  Zn  Zn2  1  0.500  0.450  0.846  1.0
  Zn  Zn3  1  0.500  0.550  0.154  1.0
  Zn  Zn4  1  0.500  0.950  0.154  1.0
  Zn  Zn5  1  0.500  0.050  0.846  1.0
  Zn  Zn6  1  0.500  0.382  0.643  1.0
  Zn  Zn7  1  0.500  0.618  0.357  1.0
  Zn  Zn8  1  0.500  0.882  0.357  1.0
  Zn  Zn9  1  0.500  0.118  0.643  1.0
  B  B10  1  0.500  0.750  0.849  1.0
  B  B11  1  0.500  0.250  0.151  1.0
  B  B12  1  0.500  0.876  0.591  1.0
  B  B13  1  0.500  0.124  0.409  1.0
  B  B14  1  0.500  0.376  0.409  1.0
  B  B15  1  0.500  0.624  0.591  1.0
  Ir  Ir16  1  0.000  0.000  0.500  1.0
  Ir  Ir17  1  0.000  0.500  0.500  1.0
  Ir  Ir18  1  0.000  0.750  0.231  1.0
  Ir  Ir19  1  0.000  0.250  0.769  1.0
  Ir  Ir20  1  0.000  0.750  0.514  1.0
  Ir  Ir21  1  0.000  0.250  0.486  1.0
  Ir  Ir22  1  0.000  0.879  0.935  1.0
  Ir  Ir23  1  0.000  0.121  0.065  1.0
  Ir  Ir24  1  0.000  0.379  0.065  1.0
  Ir  Ir25  1  0.000  0.621  0.935  1.0
  Ir  Ir26  1  0.000  0.889  0.718  1.0
  Ir  Ir27  1  0.000  0.111  0.282  1.0
  Ir  Ir28  1  0.000  0.389  0.282  1.0
  Ir  Ir29  1  0.000  0.611  0.718  1.0
[/CIF]
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