The structure described by Lu(MoFe5)2 crystallizes in the orthorhombic Immm space group. Lu(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(2), four equivalent Fe(3), and eight equivalent Fe(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Lu(1), one Mo(1), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(1), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Lu(1), two equivalent Mo(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 FeLu2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Lu(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms to form a mixture of distorted corner, edge, and face-sharing FeLu2Fe8Mo2 cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Lu(1), two equivalent Mo(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Lu(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Lu(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   97.352
_cell_angle_beta   111.350
_cell_angle_gamma   68.650
_symmetry_Int_Tables_number   1
_cell_volume   172.171
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.718  0.782  0.218  1.0
  Fe  Fe6  1  0.282  0.218  0.782  1.0
  Fe  Fe7  1  0.500  0.778  0.778  1.0
  Fe  Fe8  1  0.500  0.222  0.222  1.0
  Fe  Fe9  1  0.643  0.357  0.643  1.0
  Fe  Fe10  1  0.357  0.643  0.357  1.0
  Mo  Mo11  1  0.000  0.356  0.356  1.0
  Mo  Mo12  1  0.000  0.644  0.644  1.0
[/CIF]
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The structure described by Lu(MoFe5)2 crystallizes in the orthorhombic Immm space group. Lu(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(2), four equivalent Fe(3), and eight equivalent Fe(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Lu(1), one Mo(1), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(1), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Lu(1), two equivalent Mo(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 FeLu2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Lu(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms to form a mixture of distorted corner, edge, and face-sharing FeLu2Fe8Mo2 cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Lu(1), two equivalent Mo(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Lu(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Lu(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   97.352
_cell_angle_beta   111.350
_cell_angle_gamma   68.650
_symmetry_Int_Tables_number   1
_cell_volume   172.171
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.718  0.782  0.218  1.0
  Fe  Fe6  1  0.282  0.218  0.782  1.0
  Fe  Fe7  1  0.500  0.778  0.778  1.0
  Fe  Fe8  1  0.500  0.222  0.222  1.0
  Fe  Fe9  1  0.643  0.357  0.643  1.0
  Fe  Fe10  1  0.357  0.643  0.357  1.0
  Mo  Mo11  1  0.000  0.356  0.356  1.0
  Mo  Mo12  1  0.000  0.644  0.644  1.0
[/CIF]
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