The compound described by FeIr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded to four equivalent Ir(2) and eight equivalent Ir(1) atoms to form FeIr12 cuboctahedra that share corners with four equivalent Fe(1)Ir12 cuboctahedra, corners with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, edges with eight equivalent Fe(1)Ir12 cuboctahedra, edges with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, faces with six equivalent Ir(2)Fe4Ir8 cuboctahedra, and faces with eight equivalent Ir(1)Fe4Ir8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Fe(1), four equivalent Ir(1), and four equivalent Ir(2) atoms to form IrFe4Ir8 cuboctahedra that share corners with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eight equivalent Fe(1)Ir12 cuboctahedra, edges with eight equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, faces with four equivalent Ir(2)Fe4Ir8 cuboctahedra, and faces with ten equivalent Ir(1)Fe4Ir8 cuboctahedra. In the second Ir site, Ir(2) is bonded to four equivalent Fe(1) and eight equivalent Ir(1) atoms to form IrFe4Ir8 cuboctahedra that share corners with four equivalent Ir(2)Fe4Ir8 cuboctahedra, corners with eight equivalent Fe(1)Ir12 cuboctahedra, edges with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, edges with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Ir(2)Fe4Ir8 cuboctahedra, faces with six equivalent Fe(1)Ir12 cuboctahedra, and faces with eight equivalent Ir(1)Fe4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   4.663
_cell_length_c   4.663
_cell_angle_alpha   131.683
_cell_angle_beta   131.683
_cell_angle_gamma   70.730
_symmetry_Int_Tables_number   1
_cell_volume   55.401
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.750  0.250  0.500  1.0
  Ir  Ir2  1  0.250  0.750  0.500  1.0
  Ir  Ir3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by FeIr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded to four equivalent Ir(2) and eight equivalent Ir(1) atoms to form FeIr12 cuboctahedra that share corners with four equivalent Fe(1)Ir12 cuboctahedra, corners with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, edges with eight equivalent Fe(1)Ir12 cuboctahedra, edges with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, faces with six equivalent Ir(2)Fe4Ir8 cuboctahedra, and faces with eight equivalent Ir(1)Fe4Ir8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Fe(1), four equivalent Ir(1), and four equivalent Ir(2) atoms to form IrFe4Ir8 cuboctahedra that share corners with twelve equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eight equivalent Fe(1)Ir12 cuboctahedra, edges with eight equivalent Ir(1)Fe4Ir8 cuboctahedra, edges with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, faces with four equivalent Fe(1)Ir12 cuboctahedra, faces with four equivalent Ir(2)Fe4Ir8 cuboctahedra, and faces with ten equivalent Ir(1)Fe4Ir8 cuboctahedra. In the second Ir site, Ir(2) is bonded to four equivalent Fe(1) and eight equivalent Ir(1) atoms to form IrFe4Ir8 cuboctahedra that share corners with four equivalent Ir(2)Fe4Ir8 cuboctahedra, corners with eight equivalent Fe(1)Ir12 cuboctahedra, edges with eight equivalent Ir(2)Fe4Ir8 cuboctahedra, edges with sixteen equivalent Ir(1)Fe4Ir8 cuboctahedra, faces with four equivalent Ir(2)Fe4Ir8 cuboctahedra, faces with six equivalent Fe(1)Ir12 cuboctahedra, and faces with eight equivalent Ir(1)Fe4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   4.663
_cell_length_c   4.663
_cell_angle_alpha   131.683
_cell_angle_beta   131.683
_cell_angle_gamma   70.730
_symmetry_Int_Tables_number   1
_cell_volume   55.401
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ir  Ir1  1  0.750  0.250  0.500  1.0
  Ir  Ir2  1  0.250  0.750  0.500  1.0
  Ir  Ir3  1  0.500  0.500  0.000  1.0
[/CIF]
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