The material structure described by MnIr3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Ir(1) atoms to form MnIr12 cuboctahedra that share corners with six equivalent Mn(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Mn4Ir8 cuboctahedra, faces with eight equivalent Mn(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Mn(1) and eight equivalent Ir(1) atoms to form distorted IrMn4Ir8 cuboctahedra that share corners with four equivalent Mn(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Mn4Ir8 cuboctahedra, edges with six equivalent Mn(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra, faces with four equivalent Mn(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Mn4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_MnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   4.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   112.205
_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
  Mn  Mn0  1  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.169  0.337  0.250  1.0
  Ir  Ir3  1  0.663  0.831  0.250  1.0
  Ir  Ir4  1  0.169  0.832  0.250  1.0
  Ir  Ir5  1  0.831  0.663  0.750  1.0
  Ir  Ir6  1  0.337  0.169  0.750  1.0
  Ir  Ir7  1  0.831  0.168  0.750  1.0
[/CIF]
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The material structure described by MnIr3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Ir(1) atoms to form MnIr12 cuboctahedra that share corners with six equivalent Mn(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Mn4Ir8 cuboctahedra, faces with eight equivalent Mn(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Mn(1) and eight equivalent Ir(1) atoms to form distorted IrMn4Ir8 cuboctahedra that share corners with four equivalent Mn(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Mn4Ir8 cuboctahedra, edges with six equivalent Mn(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Mn4Ir8 cuboctahedra, faces with four equivalent Mn(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Mn4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_MnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   4.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   112.205
_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
  Mn  Mn0  1  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.169  0.337  0.250  1.0
  Ir  Ir3  1  0.663  0.831  0.250  1.0
  Ir  Ir4  1  0.169  0.832  0.250  1.0
  Ir  Ir5  1  0.831  0.663  0.750  1.0
  Ir  Ir6  1  0.337  0.169  0.750  1.0
  Ir  Ir7  1  0.831  0.168  0.750  1.0
[/CIF]
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