The material structure described by Mo6RuIr crystallizes in the cubic Pm-3 space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Ru(1), and two equivalent Ir(1) atoms. Ru(1) is bonded to twelve equivalent Mo(1) atoms to form RuMo12 cuboctahedra that share edges with six equivalent Ru(1)Mo12 cuboctahedra and faces with eight equivalent Ir(1)Mo12 cuboctahedra. Ir(1) is bonded to twelve equivalent Mo(1) atoms to form IrMo12 cuboctahedra that share edges with six equivalent Ir(1)Mo12 cuboctahedra and faces with eight equivalent Ru(1)Mo12 cuboctahedra. is represented by the CIF card [CIF]
data_Mo6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   5.001
_cell_length_c   5.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.107
_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
  Mo  Mo0  1  0.500  0.751  0.000  1.0
  Mo  Mo1  1  0.249  0.000  0.500  1.0
  Mo  Mo2  1  0.000  0.500  0.751  1.0
  Mo  Mo3  1  0.500  0.249  0.000  1.0
  Mo  Mo4  1  0.751  0.000  0.500  1.0
  Mo  Mo5  1  0.000  0.500  0.249  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mo6RuIr crystallizes in the cubic Pm-3 space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Ru(1), and two equivalent Ir(1) atoms. Ru(1) is bonded to twelve equivalent Mo(1) atoms to form RuMo12 cuboctahedra that share edges with six equivalent Ru(1)Mo12 cuboctahedra and faces with eight equivalent Ir(1)Mo12 cuboctahedra. Ir(1) is bonded to twelve equivalent Mo(1) atoms to form IrMo12 cuboctahedra that share edges with six equivalent Ir(1)Mo12 cuboctahedra and faces with eight equivalent Ru(1)Mo12 cuboctahedra. is represented by the CIF card [CIF]
data_Mo6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   5.001
_cell_length_c   5.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.107
_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
  Mo  Mo0  1  0.500  0.751  0.000  1.0
  Mo  Mo1  1  0.249  0.000  0.500  1.0
  Mo  Mo2  1  0.000  0.500  0.751  1.0
  Mo  Mo3  1  0.500  0.249  0.000  1.0
  Mo  Mo4  1  0.751  0.000  0.500  1.0
  Mo  Mo5  1  0.000  0.500  0.249  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.000  0.000  0.000  1.0
[/CIF]
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