The crystal structure described by NdCo12B6 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 24-coordinate geometry to six equivalent Co(1), twelve equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and four equivalent B(1) atoms. In the second Co site, Co(1) is bonded in a distorted T-shaped geometry to one Nd(1) and three equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to one Nd(1), three equivalent Co(1), and four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Nd(Co2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   5.952
_cell_angle_alpha   104.096
_cell_angle_beta   104.096
_cell_angle_gamma   104.097
_symmetry_Int_Tables_number   1
_cell_volume   187.820
_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
  Co  Co1  1  0.540  0.814  0.540  1.0
  Co  Co2  1  0.540  0.540  0.814  1.0
  Co  Co3  1  0.814  0.540  0.540  1.0
  Co  Co4  1  0.460  0.186  0.460  1.0
  Co  Co5  1  0.460  0.460  0.186  1.0
  Co  Co6  1  0.186  0.460  0.460  1.0
  Co  Co7  1  0.133  0.866  0.500  1.0
  Co  Co8  1  0.500  0.134  0.867  1.0
  Co  Co9  1  0.866  0.500  0.134  1.0
  Co  Co10  1  0.500  0.866  0.133  1.0
  Co  Co11  1  0.134  0.500  0.866  1.0
  Co  Co12  1  0.867  0.134  0.500  1.0
  B  B13  1  0.770  0.327  0.770  1.0
  B  B14  1  0.770  0.770  0.327  1.0
  B  B15  1  0.327  0.770  0.770  1.0
  B  B16  1  0.230  0.673  0.230  1.0
  B  B17  1  0.230  0.230  0.673  1.0
  B  B18  1  0.673  0.230  0.230  1.0
[/CIF]
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The crystal structure described by NdCo12B6 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 24-coordinate geometry to six equivalent Co(1), twelve equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and four equivalent B(1) atoms. In the second Co site, Co(1) is bonded in a distorted T-shaped geometry to one Nd(1) and three equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to one Nd(1), three equivalent Co(1), and four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Nd(Co2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   5.952
_cell_angle_alpha   104.096
_cell_angle_beta   104.096
_cell_angle_gamma   104.097
_symmetry_Int_Tables_number   1
_cell_volume   187.820
_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
  Co  Co1  1  0.540  0.814  0.540  1.0
  Co  Co2  1  0.540  0.540  0.814  1.0
  Co  Co3  1  0.814  0.540  0.540  1.0
  Co  Co4  1  0.460  0.186  0.460  1.0
  Co  Co5  1  0.460  0.460  0.186  1.0
  Co  Co6  1  0.186  0.460  0.460  1.0
  Co  Co7  1  0.133  0.866  0.500  1.0
  Co  Co8  1  0.500  0.134  0.867  1.0
  Co  Co9  1  0.866  0.500  0.134  1.0
  Co  Co10  1  0.500  0.866  0.133  1.0
  Co  Co11  1  0.134  0.500  0.866  1.0
  Co  Co12  1  0.867  0.134  0.500  1.0
  B  B13  1  0.770  0.327  0.770  1.0
  B  B14  1  0.770  0.770  0.327  1.0
  B  B15  1  0.327  0.770  0.770  1.0
  B  B16  1  0.230  0.673  0.230  1.0
  B  B17  1  0.230  0.230  0.673  1.0
  B  B18  1  0.673  0.230  0.230  1.0
[/CIF]
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