The material described by Y(WFe5)2 crystallizes in the orthorhombic Immm space group. Y(1) is bonded in a 20-coordinate geometry to two equivalent W(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. W(1) is bonded in a 14-coordinate geometry to one Y(1), one W(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent W(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent W(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent W(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe8W2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), four equivalent W(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_Y(Fe5W)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.690
_cell_length_b   6.470
_cell_length_c   6.470
_cell_angle_alpha   97.610
_cell_angle_beta   111.252
_cell_angle_gamma   68.748
_symmetry_Int_Tables_number   1
_cell_volume   170.559
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.723  0.777  0.223  1.0
  Fe  Fe2  1  0.277  0.223  0.777  1.0
  Fe  Fe3  1  0.500  0.779  0.779  1.0
  Fe  Fe4  1  0.500  0.221  0.221  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.631  0.369  0.631  1.0
  Fe  Fe10  1  0.369  0.631  0.369  1.0
  W  W11  1  0.000  0.354  0.354  1.0
  W  W12  1  0.000  0.646  0.646  1.0
[/CIF]
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The material described by Y(WFe5)2 crystallizes in the orthorhombic Immm space group. Y(1) is bonded in a 20-coordinate geometry to two equivalent W(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. W(1) is bonded in a 14-coordinate geometry to one Y(1), one W(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent W(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent W(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent W(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe8W2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), four equivalent W(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_Y(Fe5W)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.690
_cell_length_b   6.470
_cell_length_c   6.470
_cell_angle_alpha   97.610
_cell_angle_beta   111.252
_cell_angle_gamma   68.748
_symmetry_Int_Tables_number   1
_cell_volume   170.559
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.723  0.777  0.223  1.0
  Fe  Fe2  1  0.277  0.223  0.777  1.0
  Fe  Fe3  1  0.500  0.779  0.779  1.0
  Fe  Fe4  1  0.500  0.221  0.221  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.631  0.369  0.631  1.0
  Fe  Fe10  1  0.369  0.631  0.369  1.0
  W  W11  1  0.000  0.354  0.354  1.0
  W  W12  1  0.000  0.646  0.646  1.0
[/CIF]
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