The material described by Gd2Fe17 crystallizes in the trigonal R-3m space group. Gd(1) is bonded in a 19-coordinate geometry to one Fe(3), three equivalent Fe(4), six equivalent Fe(2), and nine equivalent Fe(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Gd(1), one Fe(3), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(2) atoms to form FeGd3Fe9 cuboctahedra that share corners with five equivalent Fe(4)Gd2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Gd3Fe9 cuboctahedra, edges with three equivalent Fe(4)Gd2Fe10 cuboctahedra, edges with five equivalent Fe(1)Gd3Fe9 cuboctahedra, faces with three equivalent Fe(4)Gd2Fe10 cuboctahedra, and faces with seven equivalent Fe(1)Gd3Fe9 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to one Gd(1), one Fe(3), three equivalent Fe(1), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Gd(1), two equivalent Fe(3), four equivalent Fe(1), and four equivalent Fe(2) atoms to form FeGd2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Gd2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Gd3Fe9 cuboctahedra, edges with six equivalent Fe(1)Gd3Fe9 cuboctahedra, faces with four equivalent Fe(4)Gd2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Gd3Fe9 cuboctahedra. is represented by the CIF file [CIF]
data_Gd2Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   83.529
_cell_angle_beta   83.530
_cell_angle_gamma   83.531
_symmetry_Int_Tables_number   1
_cell_volume   261.882
_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
  Gd  Gd0  1  0.340  0.341  0.341  1.0
  Gd  Gd1  1  0.660  0.659  0.659  1.0
  Fe  Fe2  1  0.656  0.656  0.154  1.0
  Fe  Fe3  1  0.708  0.292  0.000  1.0
  Fe  Fe4  1  0.292  0.708  1.000  1.0
  Fe  Fe5  1  0.847  0.344  0.344  1.0
  Fe  Fe6  1  0.097  0.097  0.097  1.0
  Fe  Fe7  1  0.344  0.344  0.846  1.0
  Fe  Fe8  1  0.153  0.656  0.656  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.656  0.154  0.656  1.0
  Fe  Fe11  1  0.000  0.708  0.292  1.0
  Fe  Fe12  1  0.000  0.292  0.708  1.0
  Fe  Fe13  1  0.903  0.903  0.903  1.0
  Fe  Fe14  1  0.344  0.846  0.344  1.0
  Fe  Fe15  1  0.500  0.000  0.000  1.0
  Fe  Fe16  1  0.708  0.000  0.292  1.0
  Fe  Fe17  1  0.000  0.500  0.000  1.0
  Fe  Fe18  1  0.292  1.000  0.708  1.0
[/CIF]
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The material described by Gd2Fe17 crystallizes in the trigonal R-3m space group. Gd(1) is bonded in a 19-coordinate geometry to one Fe(3), three equivalent Fe(4), six equivalent Fe(2), and nine equivalent Fe(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Gd(1), one Fe(3), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(2) atoms to form FeGd3Fe9 cuboctahedra that share corners with five equivalent Fe(4)Gd2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Gd3Fe9 cuboctahedra, edges with three equivalent Fe(4)Gd2Fe10 cuboctahedra, edges with five equivalent Fe(1)Gd3Fe9 cuboctahedra, faces with three equivalent Fe(4)Gd2Fe10 cuboctahedra, and faces with seven equivalent Fe(1)Gd3Fe9 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to one Gd(1), one Fe(3), three equivalent Fe(1), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Gd(1), two equivalent Fe(3), four equivalent Fe(1), and four equivalent Fe(2) atoms to form FeGd2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Gd2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Gd3Fe9 cuboctahedra, edges with six equivalent Fe(1)Gd3Fe9 cuboctahedra, faces with four equivalent Fe(4)Gd2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Gd3Fe9 cuboctahedra. is represented by the CIF file [CIF]
data_Gd2Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   83.529
_cell_angle_beta   83.530
_cell_angle_gamma   83.531
_symmetry_Int_Tables_number   1
_cell_volume   261.882
_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
  Gd  Gd0  1  0.340  0.341  0.341  1.0
  Gd  Gd1  1  0.660  0.659  0.659  1.0
  Fe  Fe2  1  0.656  0.656  0.154  1.0
  Fe  Fe3  1  0.708  0.292  0.000  1.0
  Fe  Fe4  1  0.292  0.708  1.000  1.0
  Fe  Fe5  1  0.847  0.344  0.344  1.0
  Fe  Fe6  1  0.097  0.097  0.097  1.0
  Fe  Fe7  1  0.344  0.344  0.846  1.0
  Fe  Fe8  1  0.153  0.656  0.656  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.656  0.154  0.656  1.0
  Fe  Fe11  1  0.000  0.708  0.292  1.0
  Fe  Fe12  1  0.000  0.292  0.708  1.0
  Fe  Fe13  1  0.903  0.903  0.903  1.0
  Fe  Fe14  1  0.344  0.846  0.344  1.0
  Fe  Fe15  1  0.500  0.000  0.000  1.0
  Fe  Fe16  1  0.708  0.000  0.292  1.0
  Fe  Fe17  1  0.000  0.500  0.000  1.0
  Fe  Fe18  1  0.292  1.000  0.708  1.0
[/CIF]
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