The material structure described by Gd3Y3Fe23 crystallizes in the trigonal R3m space group. Gd(1) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(9) atoms. Y(1) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(7) atoms. There are eleven inequivalent Fe sites. In the first Fe site, Fe(9) is bonded in a 13-coordinate geometry to two equivalent Gd(1), one Y(1), one Fe(10), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(7) atoms. In the second Fe site, Fe(10) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the third Fe site, Fe(11) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(7), and two equivalent Fe(9) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the fourth Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Fe(11), three equivalent Fe(2), and three equivalent Fe(7) atoms. In the fifth Fe site, Fe(2) is bonded in a distorted q6 geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(11), one Fe(6), two equivalent Fe(10), two equivalent Fe(2), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(3) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Fe(11), three equivalent Fe(4), and three equivalent Fe(9) atoms. In the seventh Fe site, Fe(4) is bonded in a distorted q6 geometry to two equivalent Gd(1), one Y(1), one Fe(11), one Fe(3), one Fe(8), two equivalent Fe(10), two equivalent Fe(4), and two equivalent Fe(9) atoms. In the eighth Fe site, Fe(5) is bonded in a body-centered cubic geometry to one Fe(6), one Fe(8), three equivalent Fe(7), and three equivalent Fe(9) atoms. In the ninth Fe site, Fe(6) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(2), and three equivalent Fe(9) atoms. In the tenth Fe site, Fe(7) is bonded in a 13-coordinate geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(10), one Fe(5), one Fe(8), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(9) atoms. In the eleventh Fe site, Fe(8) is bonded in a 13-coordinate geometry to three equivalent Y(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(4), and three equivalent Fe(7) atoms. is represented by the CIF file [CIF]
data_Gd3Y3Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.505
_cell_length_b   8.505
_cell_length_c   8.526
_cell_angle_alpha   90.000
_cell_angle_beta   60.079
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.630
_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  0.578  0.289  0.711  1.0
  Gd  Gd1  1  0.000  0.711  0.711  1.0
  Gd  Gd2  1  0.000  0.289  0.711  1.0
  Y  Y3  1  0.423  0.712  0.288  1.0
  Y  Y4  1  0.000  0.289  0.288  1.0
  Y  Y5  1  0.000  0.712  0.288  1.0
  Fe  Fe6  1  0.648  0.324  0.029  1.0
  Fe  Fe7  1  0.352  0.324  0.324  1.0
  Fe  Fe8  1  0.352  0.028  0.324  1.0
  Fe  Fe9  1  0.648  0.324  0.324  1.0
  Fe  Fe10  1  0.351  0.676  0.973  1.0
  Fe  Fe11  1  0.648  0.676  0.676  1.0
  Fe  Fe12  1  0.648  0.972  0.676  1.0
  Fe  Fe13  1  0.352  0.676  0.676  1.0
  Fe  Fe14  1  0.999  1.000  0.001  1.0
  Fe  Fe15  1  0.244  0.122  0.634  1.0
  Fe  Fe16  1  0.757  0.122  0.122  1.0
  Fe  Fe17  1  0.757  0.635  0.122  1.0
  Fe  Fe18  1  0.244  0.122  0.122  1.0
  Fe  Fe19  1  0.756  0.878  0.366  1.0
  Fe  Fe20  1  0.244  0.878  0.878  1.0
  Fe  Fe21  1  0.244  0.365  0.878  1.0
  Fe  Fe22  1  0.756  0.878  0.878  1.0
  Fe  Fe23  1  0.000  0.000  0.499  1.0
  Fe  Fe24  1  0.501  0.501  0.499  1.0
  Fe  Fe25  1  0.501  0.000  0.499  1.0
  Fe  Fe26  1  0.000  0.500  0.001  1.0
  Fe  Fe27  1  0.499  0.999  0.001  1.0
  Fe  Fe28  1  0.499  0.500  0.001  1.0
[/CIF]
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The material structure described by Gd3Y3Fe23 crystallizes in the trigonal R3m space group. Gd(1) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(9) atoms. Y(1) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(7) atoms. There are eleven inequivalent Fe sites. In the first Fe site, Fe(9) is bonded in a 13-coordinate geometry to two equivalent Gd(1), one Y(1), one Fe(10), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(7) atoms. In the second Fe site, Fe(10) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the third Fe site, Fe(11) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(7), and two equivalent Fe(9) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the fourth Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Fe(11), three equivalent Fe(2), and three equivalent Fe(7) atoms. In the fifth Fe site, Fe(2) is bonded in a distorted q6 geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(11), one Fe(6), two equivalent Fe(10), two equivalent Fe(2), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(3) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Fe(11), three equivalent Fe(4), and three equivalent Fe(9) atoms. In the seventh Fe site, Fe(4) is bonded in a distorted q6 geometry to two equivalent Gd(1), one Y(1), one Fe(11), one Fe(3), one Fe(8), two equivalent Fe(10), two equivalent Fe(4), and two equivalent Fe(9) atoms. In the eighth Fe site, Fe(5) is bonded in a body-centered cubic geometry to one Fe(6), one Fe(8), three equivalent Fe(7), and three equivalent Fe(9) atoms. In the ninth Fe site, Fe(6) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(2), and three equivalent Fe(9) atoms. In the tenth Fe site, Fe(7) is bonded in a 13-coordinate geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(10), one Fe(5), one Fe(8), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(9) atoms. In the eleventh Fe site, Fe(8) is bonded in a 13-coordinate geometry to three equivalent Y(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(4), and three equivalent Fe(7) atoms. is represented by the CIF file [CIF]
data_Gd3Y3Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.505
_cell_length_b   8.505
_cell_length_c   8.526
_cell_angle_alpha   90.000
_cell_angle_beta   60.079
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.630
_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  0.578  0.289  0.711  1.0
  Gd  Gd1  1  0.000  0.711  0.711  1.0
  Gd  Gd2  1  0.000  0.289  0.711  1.0
  Y  Y3  1  0.423  0.712  0.288  1.0
  Y  Y4  1  0.000  0.289  0.288  1.0
  Y  Y5  1  0.000  0.712  0.288  1.0
  Fe  Fe6  1  0.648  0.324  0.029  1.0
  Fe  Fe7  1  0.352  0.324  0.324  1.0
  Fe  Fe8  1  0.352  0.028  0.324  1.0
  Fe  Fe9  1  0.648  0.324  0.324  1.0
  Fe  Fe10  1  0.351  0.676  0.973  1.0
  Fe  Fe11  1  0.648  0.676  0.676  1.0
  Fe  Fe12  1  0.648  0.972  0.676  1.0
  Fe  Fe13  1  0.352  0.676  0.676  1.0
  Fe  Fe14  1  0.999  1.000  0.001  1.0
  Fe  Fe15  1  0.244  0.122  0.634  1.0
  Fe  Fe16  1  0.757  0.122  0.122  1.0
  Fe  Fe17  1  0.757  0.635  0.122  1.0
  Fe  Fe18  1  0.244  0.122  0.122  1.0
  Fe  Fe19  1  0.756  0.878  0.366  1.0
  Fe  Fe20  1  0.244  0.878  0.878  1.0
  Fe  Fe21  1  0.244  0.365  0.878  1.0
  Fe  Fe22  1  0.756  0.878  0.878  1.0
  Fe  Fe23  1  0.000  0.000  0.499  1.0
  Fe  Fe24  1  0.501  0.501  0.499  1.0
  Fe  Fe25  1  0.501  0.000  0.499  1.0
  Fe  Fe26  1  0.000  0.500  0.001  1.0
  Fe  Fe27  1  0.499  0.999  0.001  1.0
  Fe  Fe28  1  0.499  0.500  0.001  1.0
[/CIF]
.