The material structure described by Gd(CrFe5)2 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 20-coordinate geometry to two equivalent Cr(1), two equivalent Fe(5), four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. Cr(1) is bonded in a 14-coordinate geometry to one Gd(1), one Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms to form a mixture of distorted edge, face, and corner-sharing FeGd2Cr2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and two equivalent Fe(5) atoms to form a mixture of edge, face, and corner-sharing FeGd2Cr2Fe8 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Gd(1), four equivalent Cr(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. is represented by the CIF file [CIF]
data_Gd(CrFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   6.398
_cell_length_c   6.419
_cell_angle_alpha   97.505
_cell_angle_beta   111.332
_cell_angle_gamma   68.630
_symmetry_Int_Tables_number   1
_cell_volume   167.000
_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  1.000  0.000  1.000  1.0
  Cr  Cr1  1  0.000  0.367  0.367  1.0
  Cr  Cr2  1  0.000  0.633  0.633  1.0
  Fe  Fe3  1  0.726  0.774  0.226  1.0
  Fe  Fe4  1  0.274  0.226  0.774  1.0
  Fe  Fe5  1  0.500  0.771  0.771  1.0
  Fe  Fe6  1  0.500  0.229  0.229  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  1.000  1.0
  Fe  Fe10  1  1.000  0.500  1.000  1.0
  Fe  Fe11  1  0.642  0.358  0.642  1.0
  Fe  Fe12  1  0.358  0.642  0.358  1.0
[/CIF]
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The material structure described by Gd(CrFe5)2 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 20-coordinate geometry to two equivalent Cr(1), two equivalent Fe(5), four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. Cr(1) is bonded in a 14-coordinate geometry to one Gd(1), one Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms to form a mixture of distorted edge, face, and corner-sharing FeGd2Cr2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Gd(1), two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and two equivalent Fe(5) atoms to form a mixture of edge, face, and corner-sharing FeGd2Cr2Fe8 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Gd(1), four equivalent Cr(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. is represented by the CIF file [CIF]
data_Gd(CrFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   6.398
_cell_length_c   6.419
_cell_angle_alpha   97.505
_cell_angle_beta   111.332
_cell_angle_gamma   68.630
_symmetry_Int_Tables_number   1
_cell_volume   167.000
_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  1.000  0.000  1.000  1.0
  Cr  Cr1  1  0.000  0.367  0.367  1.0
  Cr  Cr2  1  0.000  0.633  0.633  1.0
  Fe  Fe3  1  0.726  0.774  0.226  1.0
  Fe  Fe4  1  0.274  0.226  0.774  1.0
  Fe  Fe5  1  0.500  0.771  0.771  1.0
  Fe  Fe6  1  0.500  0.229  0.229  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  1.000  1.0
  Fe  Fe10  1  1.000  0.500  1.000  1.0
  Fe  Fe11  1  0.642  0.358  0.642  1.0
  Fe  Fe12  1  0.358  0.642  0.358  1.0
[/CIF]
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