The material structure described by NbCo2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Co(1), and nine equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Nb(1) and six equivalent Co(2) atoms to form a mixture of face, corner, and edge-sharing CoNb6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to six equivalent Nb(1), two equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of face, corner, and edge-sharing CoNb6Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   7.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   153.749
_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
  Nb  Nb0  1  0.333  0.667  0.436  1.0
  Nb  Nb1  1  0.667  0.333  0.564  1.0
  Nb  Nb2  1  0.667  0.333  0.936  1.0
  Nb  Nb3  1  0.333  0.667  0.064  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.831  0.169  0.250  1.0
  Co  Co7  1  0.831  0.663  0.250  1.0
  Co  Co8  1  0.337  0.169  0.250  1.0
  Co  Co9  1  0.169  0.831  0.750  1.0
  Co  Co10  1  0.169  0.337  0.750  1.0
  Co  Co11  1  0.663  0.831  0.750  1.0
[/CIF]
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The material structure described by NbCo2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Co(1), and nine equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Nb(1) and six equivalent Co(2) atoms to form a mixture of face, corner, and edge-sharing CoNb6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to six equivalent Nb(1), two equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of face, corner, and edge-sharing CoNb6Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   7.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   153.749
_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
  Nb  Nb0  1  0.333  0.667  0.436  1.0
  Nb  Nb1  1  0.667  0.333  0.564  1.0
  Nb  Nb2  1  0.667  0.333  0.936  1.0
  Nb  Nb3  1  0.333  0.667  0.064  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.831  0.169  0.250  1.0
  Co  Co7  1  0.831  0.663  0.250  1.0
  Co  Co8  1  0.337  0.169  0.250  1.0
  Co  Co9  1  0.169  0.831  0.750  1.0
  Co  Co10  1  0.169  0.337  0.750  1.0
  Co  Co11  1  0.663  0.831  0.750  1.0
[/CIF]
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