The crystal structure described by Co7Nb6 crystallizes in the trigonal R-3m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to four equivalent Nb(2) and three equivalent Co(1) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to three equivalent Nb(3), four equivalent Nb(1), and three equivalent Co(1) atoms. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to three equivalent Nb(2) and six equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to one Nb(1), one Nb(2), two equivalent Nb(3), one Co(2), and four equivalent Co(1) atoms. In the second Co site, Co(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.212
_cell_length_b   11.212
_cell_length_c   11.212
_cell_angle_alpha   24.824
_cell_angle_beta   24.824
_cell_angle_gamma   24.824
_symmetry_Int_Tables_number   1
_cell_volume   218.508
_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
  Nb  Nb0  1  0.208  0.208  0.208  1.0
  Nb  Nb1  1  0.121  0.121  0.121  1.0
  Nb  Nb2  1  0.583  0.583  0.583  1.0
  Nb  Nb3  1  0.792  0.792  0.792  1.0
  Nb  Nb4  1  0.417  0.417  0.417  1.0
  Nb  Nb5  1  0.879  0.879  0.879  1.0
  Co  Co6  1  0.118  0.600  0.118  1.0
  Co  Co7  1  0.118  0.118  0.600  1.0
  Co  Co8  1  0.882  0.882  0.400  1.0
  Co  Co9  1  0.400  0.882  0.882  1.0
  Co  Co10  1  0.000  0.000  0.000  1.0
  Co  Co11  1  0.600  0.118  0.118  1.0
  Co  Co12  1  0.882  0.400  0.882  1.0
[/CIF]
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The crystal structure described by Co7Nb6 crystallizes in the trigonal R-3m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to four equivalent Nb(2) and three equivalent Co(1) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to three equivalent Nb(3), four equivalent Nb(1), and three equivalent Co(1) atoms. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to three equivalent Nb(2) and six equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to one Nb(1), one Nb(2), two equivalent Nb(3), one Co(2), and four equivalent Co(1) atoms. In the second Co site, Co(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.212
_cell_length_b   11.212
_cell_length_c   11.212
_cell_angle_alpha   24.824
_cell_angle_beta   24.824
_cell_angle_gamma   24.824
_symmetry_Int_Tables_number   1
_cell_volume   218.508
_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
  Nb  Nb0  1  0.208  0.208  0.208  1.0
  Nb  Nb1  1  0.121  0.121  0.121  1.0
  Nb  Nb2  1  0.583  0.583  0.583  1.0
  Nb  Nb3  1  0.792  0.792  0.792  1.0
  Nb  Nb4  1  0.417  0.417  0.417  1.0
  Nb  Nb5  1  0.879  0.879  0.879  1.0
  Co  Co6  1  0.118  0.600  0.118  1.0
  Co  Co7  1  0.118  0.118  0.600  1.0
  Co  Co8  1  0.882  0.882  0.400  1.0
  Co  Co9  1  0.400  0.882  0.882  1.0
  Co  Co10  1  0.000  0.000  0.000  1.0
  Co  Co11  1  0.600  0.118  0.118  1.0
  Co  Co12  1  0.882  0.400  0.882  1.0
[/CIF]
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