The compound described by Mn3IrSi crystallizes in the cubic P2_13 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the second Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the third Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the fourth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the fifth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. Ir(1) is bonded to nine Mn(1,1,1) and three equivalent Si(1) atoms to form IrMn9Si3 cuboctahedra that share corners with six equivalent Ir(1)Mn9Si3 cuboctahedra, corners with nine equivalent Si(1)Mn9Ir3 cuboctahedra, faces with four equivalent Si(1)Mn9Ir3 cuboctahedra, and faces with six equivalent Ir(1)Mn9Si3 cuboctahedra. Si(1) is bonded to nine Mn(1,1,1,1,1) and three equivalent Ir(1) atoms to form distorted SiMn9Ir3 cuboctahedra that share corners with six equivalent Si(1)Mn9Ir3 cuboctahedra, corners with nine equivalent Ir(1)Mn9Si3 cuboctahedra, faces with four equivalent Ir(1)Mn9Si3 cuboctahedra, and faces with six equivalent Si(1)Mn9Ir3 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.376
_cell_length_c   6.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.220
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.548  0.630  0.288  1.0
  Mn  Mn1  1  0.788  0.952  0.370  1.0
  Mn  Mn2  1  0.048  0.870  0.712  1.0
  Mn  Mn3  1  0.870  0.712  0.048  1.0
  Mn  Mn4  1  0.712  0.048  0.870  1.0
  Mn  Mn5  1  0.630  0.288  0.548  1.0
  Mn  Mn6  1  0.130  0.212  0.452  1.0
  Mn  Mn7  1  0.370  0.788  0.952  1.0
  Mn  Mn8  1  0.288  0.548  0.630  1.0
  Mn  Mn9  1  0.452  0.130  0.212  1.0
  Mn  Mn10  1  0.212  0.452  0.130  1.0
  Mn  Mn11  1  0.952  0.370  0.788  1.0
  Si  Si12  1  0.940  0.560  0.440  1.0
  Si  Si13  1  0.560  0.440  0.940  1.0
  Si  Si14  1  0.440  0.940  0.560  1.0
  Si  Si15  1  0.060  0.060  0.060  1.0
  Ir  Ir16  1  0.315  0.185  0.815  1.0
  Ir  Ir17  1  0.185  0.815  0.315  1.0
  Ir  Ir18  1  0.815  0.315  0.185  1.0
  Ir  Ir19  1  0.685  0.685  0.685  1.0
[/CIF]
.
The compound described by Mn3IrSi crystallizes in the cubic P2_13 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the second Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the third Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the fourth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. In the fifth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ir(1); and three equivalent Si(1) atoms. Ir(1) is bonded to nine Mn(1,1,1) and three equivalent Si(1) atoms to form IrMn9Si3 cuboctahedra that share corners with six equivalent Ir(1)Mn9Si3 cuboctahedra, corners with nine equivalent Si(1)Mn9Ir3 cuboctahedra, faces with four equivalent Si(1)Mn9Ir3 cuboctahedra, and faces with six equivalent Ir(1)Mn9Si3 cuboctahedra. Si(1) is bonded to nine Mn(1,1,1,1,1) and three equivalent Ir(1) atoms to form distorted SiMn9Ir3 cuboctahedra that share corners with six equivalent Si(1)Mn9Ir3 cuboctahedra, corners with nine equivalent Ir(1)Mn9Si3 cuboctahedra, faces with four equivalent Ir(1)Mn9Si3 cuboctahedra, and faces with six equivalent Si(1)Mn9Ir3 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.376
_cell_length_c   6.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.220
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.548  0.630  0.288  1.0
  Mn  Mn1  1  0.788  0.952  0.370  1.0
  Mn  Mn2  1  0.048  0.870  0.712  1.0
  Mn  Mn3  1  0.870  0.712  0.048  1.0
  Mn  Mn4  1  0.712  0.048  0.870  1.0
  Mn  Mn5  1  0.630  0.288  0.548  1.0
  Mn  Mn6  1  0.130  0.212  0.452  1.0
  Mn  Mn7  1  0.370  0.788  0.952  1.0
  Mn  Mn8  1  0.288  0.548  0.630  1.0
  Mn  Mn9  1  0.452  0.130  0.212  1.0
  Mn  Mn10  1  0.212  0.452  0.130  1.0
  Mn  Mn11  1  0.952  0.370  0.788  1.0
  Si  Si12  1  0.940  0.560  0.440  1.0
  Si  Si13  1  0.560  0.440  0.940  1.0
  Si  Si14  1  0.440  0.940  0.560  1.0
  Si  Si15  1  0.060  0.060  0.060  1.0
  Ir  Ir16  1  0.315  0.185  0.815  1.0
  Ir  Ir17  1  0.185  0.815  0.315  1.0
  Ir  Ir18  1  0.815  0.315  0.185  1.0
  Ir  Ir19  1  0.685  0.685  0.685  1.0
[/CIF]
.