The compound described by YFe2 is Cubic Laves-like structured and crystallizes in the tetragonal I-4 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(4), and four equivalent Fe(5) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(5) atoms. In the third Y site, Y(3) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the fourth Y site, Y(4) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(5), three equivalent Fe(2), and three equivalent Fe(3) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(4) is bonded to one Y(1), two equivalent Y(4), three equivalent Y(3), one Fe(1), one Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the second Fe site, Fe(5) is bonded to one Y(1), one Y(2), two equivalent Y(3), two equivalent Y(4), one Fe(1), one Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the third Fe site, Fe(1) is bonded to one Y(1), two equivalent Y(4), three equivalent Y(3), one Fe(3), one Fe(4), one Fe(5), and three equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the fourth Fe site, Fe(2) is bonded to one Y(2), two equivalent Y(3), three equivalent Y(4), one Fe(3), one Fe(4), one Fe(5), and three equivalent Fe(2) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the fifth Fe site, Fe(3) is bonded to one Y(2), two equivalent Y(3), three equivalent Y(4), one Fe(1), one Fe(2), two equivalent Fe(4), and two equivalent Fe(5) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.908
_cell_length_b   8.908
_cell_length_c   8.908
_cell_angle_alpha   99.683
_cell_angle_beta   99.683
_cell_angle_gamma   131.576
_symmetry_Int_Tables_number   1
_cell_volume   482.339
_cell_formula_units_Z   10
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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  0.047  0.147  0.699  1.0
  Y  Y3  1  0.448  0.348  0.301  1.0
  Y  Y4  1  0.652  0.953  0.100  1.0
  Y  Y5  1  0.853  0.552  0.900  1.0
  Y  Y6  1  0.205  0.602  0.801  1.0
  Y  Y7  1  0.801  0.404  0.199  1.0
  Y  Y8  1  0.596  0.795  0.397  1.0
  Y  Y9  1  0.398  0.199  0.603  1.0
  Fe  Fe10  1  0.723  0.675  0.150  1.0
  Fe  Fe11  1  0.526  0.573  0.850  1.0
  Fe  Fe12  1  0.427  0.277  0.953  1.0
  Fe  Fe13  1  0.325  0.474  0.047  1.0
  Fe  Fe14  1  0.724  0.173  0.648  1.0
  Fe  Fe15  1  0.526  0.076  0.352  1.0
  Fe  Fe16  1  0.924  0.276  0.450  1.0
  Fe  Fe17  1  0.827  0.474  0.550  1.0
  Fe  Fe18  1  0.923  0.773  0.452  1.0
  Fe  Fe19  1  0.321  0.471  0.548  1.0
  Fe  Fe20  1  0.529  0.077  0.850  1.0
  Fe  Fe21  1  0.227  0.679  0.150  1.0
  Fe  Fe22  1  0.923  0.273  0.946  1.0
  Fe  Fe23  1  0.328  0.978  0.054  1.0
  Fe  Fe24  1  0.022  0.077  0.350  1.0
  Fe  Fe25  1  0.727  0.672  0.650  1.0
  Fe  Fe26  1  0.124  0.377  0.246  1.0
  Fe  Fe27  1  0.132  0.878  0.754  1.0
  Fe  Fe28  1  0.122  0.876  0.253  1.0
  Fe  Fe29  1  0.623  0.868  0.747  1.0
[/CIF]
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The compound described by YFe2 is Cubic Laves-like structured and crystallizes in the tetragonal I-4 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(4), and four equivalent Fe(5) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(5) atoms. In the third Y site, Y(3) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the fourth Y site, Y(4) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(5), three equivalent Fe(2), and three equivalent Fe(3) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(4) is bonded to one Y(1), two equivalent Y(4), three equivalent Y(3), one Fe(1), one Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the second Fe site, Fe(5) is bonded to one Y(1), one Y(2), two equivalent Y(3), two equivalent Y(4), one Fe(1), one Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the third Fe site, Fe(1) is bonded to one Y(1), two equivalent Y(4), three equivalent Y(3), one Fe(3), one Fe(4), one Fe(5), and three equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the fourth Fe site, Fe(2) is bonded to one Y(2), two equivalent Y(3), three equivalent Y(4), one Fe(3), one Fe(4), one Fe(5), and three equivalent Fe(2) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. In the fifth Fe site, Fe(3) is bonded to one Y(2), two equivalent Y(3), three equivalent Y(4), one Fe(1), one Fe(2), two equivalent Fe(4), and two equivalent Fe(5) atoms to form a mixture of edge, corner, and face-sharing FeY6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.908
_cell_length_b   8.908
_cell_length_c   8.908
_cell_angle_alpha   99.683
_cell_angle_beta   99.683
_cell_angle_gamma   131.576
_symmetry_Int_Tables_number   1
_cell_volume   482.339
_cell_formula_units_Z   10
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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  0.047  0.147  0.699  1.0
  Y  Y3  1  0.448  0.348  0.301  1.0
  Y  Y4  1  0.652  0.953  0.100  1.0
  Y  Y5  1  0.853  0.552  0.900  1.0
  Y  Y6  1  0.205  0.602  0.801  1.0
  Y  Y7  1  0.801  0.404  0.199  1.0
  Y  Y8  1  0.596  0.795  0.397  1.0
  Y  Y9  1  0.398  0.199  0.603  1.0
  Fe  Fe10  1  0.723  0.675  0.150  1.0
  Fe  Fe11  1  0.526  0.573  0.850  1.0
  Fe  Fe12  1  0.427  0.277  0.953  1.0
  Fe  Fe13  1  0.325  0.474  0.047  1.0
  Fe  Fe14  1  0.724  0.173  0.648  1.0
  Fe  Fe15  1  0.526  0.076  0.352  1.0
  Fe  Fe16  1  0.924  0.276  0.450  1.0
  Fe  Fe17  1  0.827  0.474  0.550  1.0
  Fe  Fe18  1  0.923  0.773  0.452  1.0
  Fe  Fe19  1  0.321  0.471  0.548  1.0
  Fe  Fe20  1  0.529  0.077  0.850  1.0
  Fe  Fe21  1  0.227  0.679  0.150  1.0
  Fe  Fe22  1  0.923  0.273  0.946  1.0
  Fe  Fe23  1  0.328  0.978  0.054  1.0
  Fe  Fe24  1  0.022  0.077  0.350  1.0
  Fe  Fe25  1  0.727  0.672  0.650  1.0
  Fe  Fe26  1  0.124  0.377  0.246  1.0
  Fe  Fe27  1  0.132  0.878  0.754  1.0
  Fe  Fe28  1  0.122  0.876  0.253  1.0
  Fe  Fe29  1  0.623  0.868  0.747  1.0
[/CIF]
.