The compound described by Nd2Co5B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to one Nd(2), three equivalent Nd(1), three equivalent Co(1), and nine equivalent Co(3) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to one Nd(1), one Nd(2), six equivalent Co(2), six equivalent Co(3), three equivalent B(1), and three equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Nd(1) and six equivalent Co(3) atoms to form edge-sharing CoNd6Co6 cuboctahedra. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to four equivalent Nd(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Nd(2), three equivalent Nd(1), one Co(1), one B(1), and one B(2) atom. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Nd(2), three equivalent Co(2), and three equivalent Co(3) atoms. In the second B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Co5B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   5.182
_cell_length_c   20.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   467.567
_cell_formula_units_Z   4
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  0.521  1.0
  Nd  Nd1  1  0.333  0.667  0.479  1.0
  Nd  Nd2  1  0.333  0.667  0.021  1.0
  Nd  Nd3  1  0.667  0.333  0.979  1.0
  Nd  Nd4  1  0.667  0.333  0.675  1.0
  Nd  Nd5  1  0.333  0.667  0.325  1.0
  Nd  Nd6  1  0.333  0.667  0.175  1.0
  Nd  Nd7  1  0.667  0.333  0.825  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.168  0.336  0.750  1.0
  Co  Co11  1  0.168  0.832  0.750  1.0
  Co  Co12  1  0.664  0.832  0.750  1.0
  Co  Co13  1  0.832  0.664  0.250  1.0
  Co  Co14  1  0.832  0.168  0.250  1.0
  Co  Co15  1  0.336  0.168  0.250  1.0
  Co  Co16  1  0.161  0.321  0.609  1.0
  Co  Co17  1  0.160  0.840  0.609  1.0
  Co  Co18  1  0.679  0.839  0.609  1.0
  Co  Co19  1  0.839  0.679  0.391  1.0
  Co  Co20  1  0.840  0.160  0.391  1.0
  Co  Co21  1  0.321  0.161  0.391  1.0
  Co  Co22  1  0.839  0.679  0.109  1.0
  Co  Co23  1  0.840  0.160  0.109  1.0
  Co  Co24  1  0.321  0.161  0.109  1.0
  Co  Co25  1  0.161  0.321  0.891  1.0
  Co  Co26  1  0.160  0.840  0.891  1.0
  Co  Co27  1  0.679  0.839  0.891  1.0
  B  B28  1  1.000  0.000  0.679  1.0
  B  B29  1  0.000  1.000  0.321  1.0
  B  B30  1  0.000  1.000  0.179  1.0
  B  B31  1  1.000  0.000  0.821  1.0
  B  B32  1  0.667  0.333  0.325  1.0
  B  B33  1  0.333  0.667  0.675  1.0
  B  B34  1  0.333  0.667  0.825  1.0
  B  B35  1  0.667  0.333  0.175  1.0
[/CIF]
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The compound described by Nd2Co5B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to one Nd(2), three equivalent Nd(1), three equivalent Co(1), and nine equivalent Co(3) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to one Nd(1), one Nd(2), six equivalent Co(2), six equivalent Co(3), three equivalent B(1), and three equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Nd(1) and six equivalent Co(3) atoms to form edge-sharing CoNd6Co6 cuboctahedra. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to four equivalent Nd(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Nd(2), three equivalent Nd(1), one Co(1), one B(1), and one B(2) atom. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Nd(2), three equivalent Co(2), and three equivalent Co(3) atoms. In the second B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Co5B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   5.182
_cell_length_c   20.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   467.567
_cell_formula_units_Z   4
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  0.521  1.0
  Nd  Nd1  1  0.333  0.667  0.479  1.0
  Nd  Nd2  1  0.333  0.667  0.021  1.0
  Nd  Nd3  1  0.667  0.333  0.979  1.0
  Nd  Nd4  1  0.667  0.333  0.675  1.0
  Nd  Nd5  1  0.333  0.667  0.325  1.0
  Nd  Nd6  1  0.333  0.667  0.175  1.0
  Nd  Nd7  1  0.667  0.333  0.825  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.168  0.336  0.750  1.0
  Co  Co11  1  0.168  0.832  0.750  1.0
  Co  Co12  1  0.664  0.832  0.750  1.0
  Co  Co13  1  0.832  0.664  0.250  1.0
  Co  Co14  1  0.832  0.168  0.250  1.0
  Co  Co15  1  0.336  0.168  0.250  1.0
  Co  Co16  1  0.161  0.321  0.609  1.0
  Co  Co17  1  0.160  0.840  0.609  1.0
  Co  Co18  1  0.679  0.839  0.609  1.0
  Co  Co19  1  0.839  0.679  0.391  1.0
  Co  Co20  1  0.840  0.160  0.391  1.0
  Co  Co21  1  0.321  0.161  0.391  1.0
  Co  Co22  1  0.839  0.679  0.109  1.0
  Co  Co23  1  0.840  0.160  0.109  1.0
  Co  Co24  1  0.321  0.161  0.109  1.0
  Co  Co25  1  0.161  0.321  0.891  1.0
  Co  Co26  1  0.160  0.840  0.891  1.0
  Co  Co27  1  0.679  0.839  0.891  1.0
  B  B28  1  1.000  0.000  0.679  1.0
  B  B29  1  0.000  1.000  0.321  1.0
  B  B30  1  0.000  1.000  0.179  1.0
  B  B31  1  1.000  0.000  0.821  1.0
  B  B32  1  0.667  0.333  0.325  1.0
  B  B33  1  0.333  0.667  0.675  1.0
  B  B34  1  0.333  0.667  0.825  1.0
  B  B35  1  0.667  0.333  0.175  1.0
[/CIF]
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