The material described by Zr5OsIr2 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Os(1), one Ir(1), one Ir(3), and two equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(1), and two equivalent Ir(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(1), and two equivalent Ir(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(3), and two equivalent Ir(2) atoms. In the fifth Zr site, Zr(5) is bonded in a 5-coordinate geometry to one Ir(3), two equivalent Ir(1), and two equivalent Ir(2) atoms. Os(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(5), and four equivalent Zr(1) atoms. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the third Ir site, Ir(3) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(3), two equivalent Zr(4), and four equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5Ir2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   8.056
_cell_length_c   5.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.130
_symmetry_Int_Tables_number   1
_cell_volume   313.588
_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
  Zr  Zr0  1  0.667  0.333  0.251  1.0
  Zr  Zr1  1  0.333  0.667  0.251  1.0
  Zr  Zr2  1  0.333  0.667  0.749  1.0
  Zr  Zr3  1  0.667  0.333  0.749  1.0
  Zr  Zr4  1  0.761  0.005  0.500  1.0
  Zr  Zr5  1  0.005  0.761  0.500  1.0
  Zr  Zr6  1  0.240  0.240  0.500  1.0
  Zr  Zr7  1  0.241  0.999  0.000  1.0
  Zr  Zr8  1  0.999  0.241  0.000  1.0
  Zr  Zr9  1  0.757  0.757  0.000  1.0
  Ir  Ir10  1  0.601  0.601  0.500  1.0
  Ir  Ir11  1  0.600  0.999  0.000  1.0
  Ir  Ir12  1  0.999  0.600  0.000  1.0
  Ir  Ir13  1  0.399  0.399  0.000  1.0
  Os  Os14  1  0.401  1.000  0.500  1.0
  Os  Os15  1  1.000  0.401  0.500  1.0
[/CIF]
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The material described by Zr5OsIr2 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Os(1), one Ir(1), one Ir(3), and two equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(1), and two equivalent Ir(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(1), and two equivalent Ir(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to two equivalent Os(1), one Ir(3), and two equivalent Ir(2) atoms. In the fifth Zr site, Zr(5) is bonded in a 5-coordinate geometry to one Ir(3), two equivalent Ir(1), and two equivalent Ir(2) atoms. Os(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(2), two equivalent Zr(5), and four equivalent Zr(1) atoms. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the third Ir site, Ir(3) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(3), two equivalent Zr(4), and four equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5Ir2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   8.056
_cell_length_c   5.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.130
_symmetry_Int_Tables_number   1
_cell_volume   313.588
_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
  Zr  Zr0  1  0.667  0.333  0.251  1.0
  Zr  Zr1  1  0.333  0.667  0.251  1.0
  Zr  Zr2  1  0.333  0.667  0.749  1.0
  Zr  Zr3  1  0.667  0.333  0.749  1.0
  Zr  Zr4  1  0.761  0.005  0.500  1.0
  Zr  Zr5  1  0.005  0.761  0.500  1.0
  Zr  Zr6  1  0.240  0.240  0.500  1.0
  Zr  Zr7  1  0.241  0.999  0.000  1.0
  Zr  Zr8  1  0.999  0.241  0.000  1.0
  Zr  Zr9  1  0.757  0.757  0.000  1.0
  Ir  Ir10  1  0.601  0.601  0.500  1.0
  Ir  Ir11  1  0.600  0.999  0.000  1.0
  Ir  Ir12  1  0.999  0.600  0.000  1.0
  Ir  Ir13  1  0.399  0.399  0.000  1.0
  Os  Os14  1  0.401  1.000  0.500  1.0
  Os  Os15  1  1.000  0.401  0.500  1.0
[/CIF]
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