The material structure described by Nd2Fe15Co2 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Co(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Nd(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Co(1) atoms to form FeNd2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, corners with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra, edges with four equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, edges with six equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with six equivalent Fe(3)Nd3Fe8Co cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Co(1) atoms to form distorted FeNd2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(3)Nd3Fe8Co cuboctahedra, corners with twelve equivalent Fe(2)Nd2Fe8Co2 cuboctahedra,  an edgeedge with one Fe(2)Nd2Fe8Co2 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, edges with two equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with seven equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, and faces with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Co(1) atom to form FeNd3Fe8Co cuboctahedra that share corners with five equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, corners with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra, edges with two equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, edges with three equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, edges with five equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with three equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with seven equivalent Fe(3)Nd3Fe8Co cuboctahedra, and faces with ten equivalent Fe(2)Nd2Fe8Co2 cuboctahedra. Co(1) is bonded in a 14-coordinate geometry to one Nd(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Nd2Fe15Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   83.080
_cell_angle_beta   83.080
_cell_angle_gamma   83.080
_symmetry_Int_Tables_number   1
_cell_volume   263.268
_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  0.658  0.658  0.658  1.0
  Nd  Nd1  1  0.342  0.342  0.342  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.290  0.710  0.000  1.0
  Fe  Fe6  1  0.710  0.000  0.290  1.0
  Fe  Fe7  1  0.000  0.290  0.710  1.0
  Fe  Fe8  1  0.290  0.000  0.710  1.0
  Fe  Fe9  1  0.000  0.710  0.290  1.0
  Fe  Fe10  1  0.710  0.290  0.000  1.0
  Fe  Fe11  1  0.341  0.341  0.846  1.0
  Fe  Fe12  1  0.341  0.846  0.341  1.0
  Fe  Fe13  1  0.846  0.341  0.341  1.0
  Fe  Fe14  1  0.659  0.659  0.154  1.0
  Fe  Fe15  1  0.659  0.154  0.659  1.0
  Fe  Fe16  1  0.154  0.659  0.659  1.0
  Co  Co17  1  0.906  0.906  0.906  1.0
  Co  Co18  1  0.094  0.094  0.094  1.0
[/CIF]
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The material structure described by Nd2Fe15Co2 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Co(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Nd(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Co(1) atoms to form FeNd2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, corners with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra, edges with four equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, edges with six equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with six equivalent Fe(3)Nd3Fe8Co cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Co(1) atoms to form distorted FeNd2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(3)Nd3Fe8Co cuboctahedra, corners with twelve equivalent Fe(2)Nd2Fe8Co2 cuboctahedra,  an edgeedge with one Fe(2)Nd2Fe8Co2 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, edges with two equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with four equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with seven equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, and faces with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Co(1) atom to form FeNd3Fe8Co cuboctahedra that share corners with five equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, corners with eight equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, corners with ten equivalent Fe(3)Nd3Fe8Co cuboctahedra, edges with two equivalent Fe(2)Nd2Fe8Co2 cuboctahedra, edges with three equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, edges with five equivalent Fe(3)Nd3Fe8Co cuboctahedra, faces with three equivalent Fe(1)Nd2Fe8Co2 cuboctahedra, faces with seven equivalent Fe(3)Nd3Fe8Co cuboctahedra, and faces with ten equivalent Fe(2)Nd2Fe8Co2 cuboctahedra. Co(1) is bonded in a 14-coordinate geometry to one Nd(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Nd2Fe15Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   83.080
_cell_angle_beta   83.080
_cell_angle_gamma   83.080
_symmetry_Int_Tables_number   1
_cell_volume   263.268
_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  0.658  0.658  0.658  1.0
  Nd  Nd1  1  0.342  0.342  0.342  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.290  0.710  0.000  1.0
  Fe  Fe6  1  0.710  0.000  0.290  1.0
  Fe  Fe7  1  0.000  0.290  0.710  1.0
  Fe  Fe8  1  0.290  0.000  0.710  1.0
  Fe  Fe9  1  0.000  0.710  0.290  1.0
  Fe  Fe10  1  0.710  0.290  0.000  1.0
  Fe  Fe11  1  0.341  0.341  0.846  1.0
  Fe  Fe12  1  0.341  0.846  0.341  1.0
  Fe  Fe13  1  0.846  0.341  0.341  1.0
  Fe  Fe14  1  0.659  0.659  0.154  1.0
  Fe  Fe15  1  0.659  0.154  0.659  1.0
  Fe  Fe16  1  0.154  0.659  0.659  1.0
  Co  Co17  1  0.906  0.906  0.906  1.0
  Co  Co18  1  0.094  0.094  0.094  1.0
[/CIF]
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