The material structure described by HoFe3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Ho site, Ho(2) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ho(2) and six equivalent Fe(3) atoms to form FeHo6Fe6 cuboctahedra that share corners with twelve equivalent Fe(3)Ho5Fe7 cuboctahedra, edges with six equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(3)Ho5Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Ho(1) and six equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Ho(1), three equivalent Ho(2), one Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms to form FeHo5Fe7 cuboctahedra that share corners with two equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with fifteen equivalent Fe(3)Ho5Fe7 cuboctahedra, edges with eight equivalent Fe(3)Ho5Fe7 cuboctahedra, faces with three equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eleven equivalent Fe(3)Ho5Fe7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   8.612
_cell_angle_alpha   34.808
_cell_angle_beta   34.808
_cell_angle_gamma   34.808
_symmetry_Int_Tables_number   1
_cell_volume   185.770
_cell_formula_units_Z   3
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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Ho  Ho1  1  0.142  0.142  0.142  1.0
  Ho  Ho2  1  0.858  0.858  0.858  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.333  0.333  0.333  1.0
  Fe  Fe5  1  0.667  0.667  0.667  1.0
  Fe  Fe6  1  0.082  0.580  0.580  1.0
  Fe  Fe7  1  0.580  0.580  0.082  1.0
  Fe  Fe8  1  0.580  0.082  0.580  1.0
  Fe  Fe9  1  0.420  0.918  0.420  1.0
  Fe  Fe10  1  0.918  0.420  0.420  1.0
  Fe  Fe11  1  0.420  0.420  0.918  1.0
[/CIF]
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The material structure described by HoFe3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Ho site, Ho(2) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ho(2) and six equivalent Fe(3) atoms to form FeHo6Fe6 cuboctahedra that share corners with twelve equivalent Fe(3)Ho5Fe7 cuboctahedra, edges with six equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(3)Ho5Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Ho(1) and six equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Ho(1), three equivalent Ho(2), one Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms to form FeHo5Fe7 cuboctahedra that share corners with two equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with fifteen equivalent Fe(3)Ho5Fe7 cuboctahedra, edges with eight equivalent Fe(3)Ho5Fe7 cuboctahedra, faces with three equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eleven equivalent Fe(3)Ho5Fe7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   8.612
_cell_angle_alpha   34.808
_cell_angle_beta   34.808
_cell_angle_gamma   34.808
_symmetry_Int_Tables_number   1
_cell_volume   185.770
_cell_formula_units_Z   3
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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Ho  Ho1  1  0.142  0.142  0.142  1.0
  Ho  Ho2  1  0.858  0.858  0.858  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.333  0.333  0.333  1.0
  Fe  Fe5  1  0.667  0.667  0.667  1.0
  Fe  Fe6  1  0.082  0.580  0.580  1.0
  Fe  Fe7  1  0.580  0.580  0.082  1.0
  Fe  Fe8  1  0.580  0.082  0.580  1.0
  Fe  Fe9  1  0.420  0.918  0.420  1.0
  Fe  Fe10  1  0.918  0.420  0.420  1.0
  Fe  Fe11  1  0.420  0.420  0.918  1.0
[/CIF]
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