The material structure described by MoIr4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Ir(1) atoms to form MoMo6Ir6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with six Ir(2,2)Ir12 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with six Ir(2,2)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; and faces with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Mo(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrMo3Ir9 cuboctahedra that share corners with three equivalent Ir(2)Ir12 cuboctahedra; corners with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine Ir(2,2)Ir12 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; faces with six equivalent Ir(2)Ir12 cuboctahedra; and faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra. In the second Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the third Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the fourth Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. is represented by the CIF file [CIF]
data_MoIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.417
_cell_length_b   11.417
_cell_length_c   11.417
_cell_angle_alpha   13.827
_cell_angle_beta   13.827
_cell_angle_gamma   13.827
_symmetry_Int_Tables_number   1
_cell_volume   73.963
_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  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.600  0.600  0.600  1.0
  Ir  Ir2  1  0.199  0.199  0.199  1.0
  Ir  Ir3  1  0.801  0.801  0.801  1.0
  Ir  Ir4  1  0.400  0.400  0.400  1.0
[/CIF]
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The material structure described by MoIr4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Ir(1) atoms to form MoMo6Ir6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with six Ir(2,2)Ir12 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with six Ir(2,2)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; and faces with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Mo(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrMo3Ir9 cuboctahedra that share corners with three equivalent Ir(2)Ir12 cuboctahedra; corners with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine Ir(2,2)Ir12 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; faces with six equivalent Ir(2)Ir12 cuboctahedra; and faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra. In the second Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the third Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the fourth Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. is represented by the CIF file [CIF]
data_MoIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.417
_cell_length_b   11.417
_cell_length_c   11.417
_cell_angle_alpha   13.827
_cell_angle_beta   13.827
_cell_angle_gamma   13.827
_symmetry_Int_Tables_number   1
_cell_volume   73.963
_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  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.600  0.600  0.600  1.0
  Ir  Ir2  1  0.199  0.199  0.199  1.0
  Ir  Ir3  1  0.801  0.801  0.801  1.0
  Ir  Ir4  1  0.400  0.400  0.400  1.0
[/CIF]
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