The material described by NdFe10Mo2 crystallizes in the orthorhombic Immm space group. Nd(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 Nd(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 Nd(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 face, corner, and edge-sharing FeNd2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Nd(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 Nd(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 file [CIF]
data_Nd(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.712
_cell_length_b   6.575
_cell_length_c   6.575
_cell_angle_alpha   97.068
_cell_angle_beta   110.996
_cell_angle_gamma   69.004
_symmetry_Int_Tables_number   1
_cell_volume   177.532
_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
  Nd  Nd0  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  0.724  0.776  0.224  1.0
  Fe  Fe6  1  0.276  0.224  0.776  1.0
  Fe  Fe7  1  0.500  0.770  0.770  1.0
  Fe  Fe8  1  0.500  0.230  0.230  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  0.359  0.359  1.0
  Mo  Mo12  1  0.000  0.641  0.641  1.0
[/CIF]
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The material described by NdFe10Mo2 crystallizes in the orthorhombic Immm space group. Nd(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 Nd(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 Nd(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 face, corner, and edge-sharing FeNd2Fe8Mo2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Nd(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 Nd(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 file [CIF]
data_Nd(Fe5Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.712
_cell_length_b   6.575
_cell_length_c   6.575
_cell_angle_alpha   97.068
_cell_angle_beta   110.996
_cell_angle_gamma   69.004
_symmetry_Int_Tables_number   1
_cell_volume   177.532
_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
  Nd  Nd0  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  0.724  0.776  0.224  1.0
  Fe  Fe6  1  0.276  0.224  0.776  1.0
  Fe  Fe7  1  0.500  0.770  0.770  1.0
  Fe  Fe8  1  0.500  0.230  0.230  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  0.359  0.359  1.0
  Mo  Mo12  1  0.000  0.641  0.641  1.0
[/CIF]
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