The material described by Fe3IrSi4 crystallizes in the trigonal R3 space group. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Ir(1), two equivalent Si(1), and five equivalent Si(2) atoms. Ir(1) is bonded in a 13-coordinate geometry to six equivalent Fe(1), one Si(1), and six equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to six equivalent Fe(1) and one Ir(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to five equivalent Fe(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Fe3Si4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.550
_cell_length_b   4.550
_cell_length_c   4.550
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   89.795
_symmetry_Int_Tables_number   1
_cell_volume   94.196
_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  0.139  0.366  0.634  1.0
  Fe  Fe1  1  0.634  0.139  0.366  1.0
  Fe  Fe2  1  0.366  0.634  0.139  1.0
  Si  Si3  1  0.171  0.171  0.171  1.0
  Si  Si4  1  0.834  0.645  0.344  1.0
  Si  Si5  1  0.344  0.834  0.645  1.0
  Si  Si6  1  0.645  0.344  0.834  1.0
  Ir  Ir7  1  0.867  0.867  0.867  1.0
[/CIF]
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The material described by Fe3IrSi4 crystallizes in the trigonal R3 space group. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Ir(1), two equivalent Si(1), and five equivalent Si(2) atoms. Ir(1) is bonded in a 13-coordinate geometry to six equivalent Fe(1), one Si(1), and six equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to six equivalent Fe(1) and one Ir(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to five equivalent Fe(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Fe3Si4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.550
_cell_length_b   4.550
_cell_length_c   4.550
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   89.795
_symmetry_Int_Tables_number   1
_cell_volume   94.196
_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  0.139  0.366  0.634  1.0
  Fe  Fe1  1  0.634  0.139  0.366  1.0
  Fe  Fe2  1  0.366  0.634  0.139  1.0
  Si  Si3  1  0.171  0.171  0.171  1.0
  Si  Si4  1  0.834  0.645  0.344  1.0
  Si  Si5  1  0.344  0.834  0.645  1.0
  Si  Si6  1  0.645  0.344  0.834  1.0
  Ir  Ir7  1  0.867  0.867  0.867  1.0
[/CIF]
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