The material described by NdMo2Fe5Co5 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Co(3), four equivalent Co(1), and four equivalent Co(2) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Nd(1), one Mo(1), one Fe(2), one Fe(3), one Fe(4), four equivalent Fe(1), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Nd(1), four equivalent Mo(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms to form distorted FeNd2Fe2Co6Mo2 cuboctahedra that share corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(4), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), one Co(3), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), one Co(3), and two equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted CoNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_NdFe5Co5Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   6.530
_cell_length_c   6.577
_cell_angle_alpha   97.362
_cell_angle_beta   111.653
_cell_angle_gamma   68.914
_symmetry_Int_Tables_number   1
_cell_volume   176.007
_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  0.641  0.356  0.641  1.0
  Fe  Fe2  1  0.359  0.644  0.359  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.723  0.778  0.222  1.0
  Co  Co7  1  0.277  0.222  0.778  1.0
  Co  Co8  1  0.500  0.772  0.771  1.0
  Co  Co9  1  0.500  0.228  0.229  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Mo  Mo11  1  0.002  0.358  0.360  1.0
  Mo  Mo12  1  0.998  0.642  0.640  1.0
[/CIF]
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The material described by NdMo2Fe5Co5 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Co(3), four equivalent Co(1), and four equivalent Co(2) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Nd(1), one Mo(1), one Fe(2), one Fe(3), one Fe(4), four equivalent Fe(1), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Nd(1), four equivalent Mo(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms to form distorted FeNd2Fe2Co6Mo2 cuboctahedra that share corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(4), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, edges with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), one Co(3), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), one Co(3), and two equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to two equivalent Nd(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted CoNd2Fe4Co4Mo2 cuboctahedra that share corners with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, corners with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, corners with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, corners with four equivalent Co(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, edges with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra, faces with two equivalent Fe(2)Nd2Fe2Co6Mo2 cuboctahedra, faces with two equivalent Fe(3)Nd2Fe4Co4Mo2 cuboctahedra, and faces with two equivalent Fe(4)Nd2Fe4Co4Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_NdFe5Co5Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   6.530
_cell_length_c   6.577
_cell_angle_alpha   97.362
_cell_angle_beta   111.653
_cell_angle_gamma   68.914
_symmetry_Int_Tables_number   1
_cell_volume   176.007
_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  0.641  0.356  0.641  1.0
  Fe  Fe2  1  0.359  0.644  0.359  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.723  0.778  0.222  1.0
  Co  Co7  1  0.277  0.222  0.778  1.0
  Co  Co8  1  0.500  0.772  0.771  1.0
  Co  Co9  1  0.500  0.228  0.229  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Mo  Mo11  1  0.002  0.358  0.360  1.0
  Mo  Mo12  1  0.998  0.642  0.640  1.0
[/CIF]
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