The compound described by FeIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Ir(1) atoms to form FeIr12 cuboctahedra that share corners with six equivalent Fe(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with eight equivalent Fe(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Fe(1) and eight equivalent Ir(1) atoms to form distorted IrFe4Ir8 cuboctahedra that share corners with four equivalent Fe(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with six equivalent Fe(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.407
_cell_length_b   5.407
_cell_length_c   4.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.078
_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
  Fe  Fe0  1  0.333  0.667  0.750  1.0
  Fe  Fe1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.170  0.340  0.250  1.0
  Ir  Ir3  1  0.660  0.830  0.250  1.0
  Ir  Ir4  1  0.170  0.830  0.250  1.0
  Ir  Ir5  1  0.830  0.660  0.750  1.0
  Ir  Ir6  1  0.340  0.170  0.750  1.0
  Ir  Ir7  1  0.830  0.170  0.750  1.0
[/CIF]
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The compound described by FeIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Ir(1) atoms to form FeIr12 cuboctahedra that share corners with six equivalent Fe(1)Ir12 cuboctahedra, corners with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eighteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with eight equivalent Fe(1)Ir12 cuboctahedra, and faces with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra. Ir(1) is bonded to four equivalent Fe(1) and eight equivalent Ir(1) atoms to form distorted IrFe4Ir8 cuboctahedra that share corners with four equivalent Fe(1)Ir12 cuboctahedra, corners with fourteen equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with six equivalent Fe(1)Ir12 cuboctahedra, edges with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, and faces with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.407
_cell_length_b   5.407
_cell_length_c   4.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.078
_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
  Fe  Fe0  1  0.333  0.667  0.750  1.0
  Fe  Fe1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.170  0.340  0.250  1.0
  Ir  Ir3  1  0.660  0.830  0.250  1.0
  Ir  Ir4  1  0.170  0.830  0.250  1.0
  Ir  Ir5  1  0.830  0.660  0.750  1.0
  Ir  Ir6  1  0.340  0.170  0.750  1.0
  Ir  Ir7  1  0.830  0.170  0.750  1.0
[/CIF]
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