The structure described by Tm(MoFe5)2 crystallizes in the orthorhombic Immm space group. Tm(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Tm(1), one Mo(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 to two equivalent Tm(1), two equivalent Mo(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeTm2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Mo(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 Tm(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 FeTm2Fe8Mo2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tm(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   97.260
_cell_angle_beta   111.489
_cell_angle_gamma   68.511
_symmetry_Int_Tables_number   1
_cell_volume   172.161
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.717  0.783  0.217  1.0
  Fe  Fe2  1  0.283  0.217  0.783  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  0.641  0.359  0.641  1.0
  Fe  Fe10  1  0.359  0.641  0.359  1.0
  Mo  Mo11  1  0.000  0.357  0.357  1.0
  Mo  Mo12  1  0.000  0.643  0.643  1.0
[/CIF]
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The structure described by Tm(MoFe5)2 crystallizes in the orthorhombic Immm space group. Tm(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Tm(1), one Mo(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 to two equivalent Tm(1), two equivalent Mo(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeTm2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Mo(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 Tm(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 FeTm2Fe8Mo2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tm(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   97.260
_cell_angle_beta   111.489
_cell_angle_gamma   68.511
_symmetry_Int_Tables_number   1
_cell_volume   172.161
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.717  0.783  0.217  1.0
  Fe  Fe2  1  0.283  0.217  0.783  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  0.641  0.359  0.641  1.0
  Fe  Fe10  1  0.359  0.641  0.359  1.0
  Mo  Mo11  1  0.000  0.357  0.357  1.0
  Mo  Mo12  1  0.000  0.643  0.643  1.0
[/CIF]
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