The structure described by Ir4ZnB3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded to two equivalent B(2) and four equivalent B(3) atoms to form a mixture of distorted edge, face, and corner-sharing IrB6 pentagonal pyramids. In the third Ir site, Ir(3) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(3) atoms. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent B(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to eight equivalent Ir(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Ir(3) and four equivalent Ir(4) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third B site, B(3) is bonded to two equivalent Ir(3) and four equivalent Ir(2) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. is represented by the CIF card [CIF]
data_ZnB3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.804
_cell_length_b   2.833
_cell_length_c   23.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.984
_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  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.000  0.377  1.0
  B  B3  1  0.000  0.000  0.121  1.0
  B  B4  1  0.000  0.000  0.879  1.0
  B  B5  1  0.000  0.500  0.240  1.0
  B  B6  1  0.000  0.500  0.760  1.0
  B  B7  1  0.500  0.000  0.623  1.0
  Ir  Ir8  1  0.500  0.500  0.916  1.0
  Ir  Ir9  1  0.500  0.000  0.196  1.0
  Ir  Ir10  1  0.000  0.000  0.693  1.0
  Ir  Ir11  1  0.500  0.000  0.804  1.0
  Ir  Ir12  1  0.500  0.500  0.084  1.0
  Ir  Ir13  1  0.000  0.000  0.307  1.0
  Ir  Ir14  1  0.000  0.500  0.417  1.0
  Ir  Ir15  1  0.000  0.500  0.583  1.0
[/CIF]
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The structure described by Ir4ZnB3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded to two equivalent B(2) and four equivalent B(3) atoms to form a mixture of distorted edge, face, and corner-sharing IrB6 pentagonal pyramids. In the third Ir site, Ir(3) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(3) atoms. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent B(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to eight equivalent Ir(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Ir(3) and four equivalent Ir(4) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third B site, B(3) is bonded to two equivalent Ir(3) and four equivalent Ir(2) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. is represented by the CIF card [CIF]
data_ZnB3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.804
_cell_length_b   2.833
_cell_length_c   23.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.984
_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  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.000  0.377  1.0
  B  B3  1  0.000  0.000  0.121  1.0
  B  B4  1  0.000  0.000  0.879  1.0
  B  B5  1  0.000  0.500  0.240  1.0
  B  B6  1  0.000  0.500  0.760  1.0
  B  B7  1  0.500  0.000  0.623  1.0
  Ir  Ir8  1  0.500  0.500  0.916  1.0
  Ir  Ir9  1  0.500  0.000  0.196  1.0
  Ir  Ir10  1  0.000  0.000  0.693  1.0
  Ir  Ir11  1  0.500  0.000  0.804  1.0
  Ir  Ir12  1  0.500  0.500  0.084  1.0
  Ir  Ir13  1  0.000  0.000  0.307  1.0
  Ir  Ir14  1  0.000  0.500  0.417  1.0
  Ir  Ir15  1  0.000  0.500  0.583  1.0
[/CIF]
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