The structure described by Nd4Fe4Co12B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. In the third Nd site, Nd(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Nd(2), one Fe(1), one Fe(2), one B(2), and one C(1) atom. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Nd(3), one Fe(1), one Fe(2), one B(1), and one B(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Nd(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Nd4Fe4Co12B3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.118
_cell_length_b   5.118
_cell_length_c   13.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   305.492
_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  0.667  0.333  0.249  1.0
  Nd  Nd1  1  0.667  0.333  0.751  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Nd  Nd3  1  0.667  0.333  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.750  1.0
  Fe  Fe5  1  0.000  0.000  0.250  1.0
  Fe  Fe6  1  0.333  0.667  0.248  1.0
  Fe  Fe7  1  0.333  0.667  0.752  1.0
  Co  Co8  1  0.672  0.836  0.101  1.0
  Co  Co9  1  0.666  0.833  0.606  1.0
  Co  Co10  1  0.164  0.836  0.101  1.0
  Co  Co11  1  0.167  0.833  0.606  1.0
  Co  Co12  1  0.164  0.328  0.101  1.0
  Co  Co13  1  0.167  0.334  0.606  1.0
  Co  Co14  1  0.672  0.836  0.899  1.0
  Co  Co15  1  0.666  0.833  0.394  1.0
  Co  Co16  1  0.164  0.836  0.899  1.0
  Co  Co17  1  0.167  0.833  0.394  1.0
  Co  Co18  1  0.164  0.328  0.899  1.0
  Co  Co19  1  0.167  0.334  0.394  1.0
  B  B20  1  0.000  0.000  0.500  1.0
  B  B21  1  0.333  0.667  0.000  1.0
  B  B22  1  0.333  0.667  0.500  1.0
  C  C23  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Nd4Fe4Co12B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. In the third Nd site, Nd(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Nd(2), one Fe(1), one Fe(2), one B(2), and one C(1) atom. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Nd(3), one Fe(1), one Fe(2), one B(1), and one B(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Nd(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Nd4Fe4Co12B3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.118
_cell_length_b   5.118
_cell_length_c   13.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   305.492
_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  0.667  0.333  0.249  1.0
  Nd  Nd1  1  0.667  0.333  0.751  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Nd  Nd3  1  0.667  0.333  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.750  1.0
  Fe  Fe5  1  0.000  0.000  0.250  1.0
  Fe  Fe6  1  0.333  0.667  0.248  1.0
  Fe  Fe7  1  0.333  0.667  0.752  1.0
  Co  Co8  1  0.672  0.836  0.101  1.0
  Co  Co9  1  0.666  0.833  0.606  1.0
  Co  Co10  1  0.164  0.836  0.101  1.0
  Co  Co11  1  0.167  0.833  0.606  1.0
  Co  Co12  1  0.164  0.328  0.101  1.0
  Co  Co13  1  0.167  0.334  0.606  1.0
  Co  Co14  1  0.672  0.836  0.899  1.0
  Co  Co15  1  0.666  0.833  0.394  1.0
  Co  Co16  1  0.164  0.836  0.899  1.0
  Co  Co17  1  0.167  0.833  0.394  1.0
  Co  Co18  1  0.164  0.328  0.899  1.0
  Co  Co19  1  0.167  0.334  0.394  1.0
  B  B20  1  0.000  0.000  0.500  1.0
  B  B21  1  0.333  0.667  0.000  1.0
  B  B22  1  0.333  0.667  0.500  1.0
  C  C23  1  0.000  0.000  0.000  1.0
[/CIF]
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