The structure described by NdCo3FeB crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1), four equivalent Co(1), and eight equivalent Co(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to four equivalent Co(1), eight equivalent Co(2), and six equivalent B(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), two equivalent Co(1), and four 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(1), two equivalent Nd(2), two equivalent Fe(1), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Fe(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2), two equivalent Co(1), and four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_NdFeCo3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.119
_cell_length_c   6.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.934
_symmetry_Int_Tables_number   1
_cell_volume   154.770
_cell_formula_units_Z   2
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  1.000  0.000  0.000  1.0
  Nd  Nd1  1  1.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.666  0.000  1.0
  Fe  Fe3  1  0.667  0.334  0.000  1.0
  Co  Co4  1  0.500  0.000  0.288  1.0
  Co  Co5  1  0.500  0.500  0.288  1.0
  Co  Co6  1  1.000  0.500  0.288  1.0
  Co  Co7  1  0.500  0.000  0.712  1.0
  Co  Co8  1  0.500  0.500  0.712  1.0
  Co  Co9  1  1.000  0.500  0.712  1.0
  B  B10  1  0.333  0.667  0.500  1.0
  B  B11  1  0.667  0.333  0.500  1.0
[/CIF]
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The structure described by NdCo3FeB crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1), four equivalent Co(1), and eight equivalent Co(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to four equivalent Co(1), eight equivalent Co(2), and six equivalent B(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), two equivalent Co(1), and four 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(1), two equivalent Nd(2), two equivalent Fe(1), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Fe(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2), two equivalent Co(1), and four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_NdFeCo3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.119
_cell_length_c   6.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.934
_symmetry_Int_Tables_number   1
_cell_volume   154.770
_cell_formula_units_Z   2
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  1.000  0.000  0.000  1.0
  Nd  Nd1  1  1.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.666  0.000  1.0
  Fe  Fe3  1  0.667  0.334  0.000  1.0
  Co  Co4  1  0.500  0.000  0.288  1.0
  Co  Co5  1  0.500  0.500  0.288  1.0
  Co  Co6  1  1.000  0.500  0.288  1.0
  Co  Co7  1  0.500  0.000  0.712  1.0
  Co  Co8  1  0.500  0.500  0.712  1.0
  Co  Co9  1  1.000  0.500  0.712  1.0
  B  B10  1  0.333  0.667  0.500  1.0
  B  B11  1  0.667  0.333  0.500  1.0
[/CIF]
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