The material described by NdFe10V2 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. V(1) is bonded in a 14-coordinate geometry to one Nd(1), one V(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 Nd(1), two equivalent V(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 Nd(1), two equivalent V(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 Nd(1), two equivalent V(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 FeNd2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Nd(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Nd(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   6.492
_cell_length_c   6.492
_cell_angle_alpha   97.265
_cell_angle_beta   111.115
_cell_angle_gamma   68.885
_symmetry_Int_Tables_number   1
_cell_volume   171.511
_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
  V  V1  1  0.000  0.360  0.360  1.0
  V  V2  1  0.000  0.640  0.640  1.0
  Fe  Fe3  1  0.729  0.771  0.229  1.0
  Fe  Fe4  1  0.271  0.229  0.771  1.0
  Fe  Fe5  1  0.500  0.768  0.768  1.0
  Fe  Fe6  1  0.500  0.232  0.232  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
[/CIF]
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The material described by NdFe10V2 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. V(1) is bonded in a 14-coordinate geometry to one Nd(1), one V(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 Nd(1), two equivalent V(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 Nd(1), two equivalent V(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 Nd(1), two equivalent V(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 FeNd2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Nd(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Nd(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   6.492
_cell_length_c   6.492
_cell_angle_alpha   97.265
_cell_angle_beta   111.115
_cell_angle_gamma   68.885
_symmetry_Int_Tables_number   1
_cell_volume   171.511
_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
  V  V1  1  0.000  0.360  0.360  1.0
  V  V2  1  0.000  0.640  0.640  1.0
  Fe  Fe3  1  0.729  0.771  0.229  1.0
  Fe  Fe4  1  0.271  0.229  0.771  1.0
  Fe  Fe5  1  0.500  0.768  0.768  1.0
  Fe  Fe6  1  0.500  0.232  0.232  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
[/CIF]
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