The crystal structure described by Nb4Co2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent C(1) atoms. Co(1) is bonded in a 12-coordinate geometry to three equivalent Nb(1), six equivalent Nb(2), and three equivalent Co(1) atoms. C(1) is bonded to six equivalent Nb(2) atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4Co2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.264
_cell_length_b   8.264
_cell_length_c   8.264
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   399.135
_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  0.125  0.625  0.625  1.0
  Nb  Nb1  1  0.625  0.125  0.625  1.0
  Nb  Nb2  1  0.625  0.625  0.125  1.0
  Nb  Nb3  1  0.625  0.625  0.625  1.0
  Nb  Nb4  1  0.813  0.813  0.187  1.0
  Nb  Nb5  1  0.187  0.187  0.813  1.0
  Nb  Nb6  1  0.813  0.187  0.813  1.0
  Nb  Nb7  1  0.187  0.813  0.187  1.0
  Nb  Nb8  1  0.187  0.813  0.813  1.0
  Nb  Nb9  1  0.813  0.187  0.187  1.0
  Nb  Nb10  1  0.437  0.437  0.063  1.0
  Nb  Nb11  1  0.063  0.063  0.437  1.0
  Nb  Nb12  1  0.437  0.063  0.437  1.0
  Nb  Nb13  1  0.063  0.437  0.063  1.0
  Nb  Nb14  1  0.063  0.437  0.437  1.0
  Nb  Nb15  1  0.437  0.063  0.063  1.0
  Co  Co16  1  0.740  0.420  0.420  1.0
  Co  Co17  1  0.420  0.740  0.420  1.0
  Co  Co18  1  0.420  0.420  0.740  1.0
  Co  Co19  1  0.420  0.420  0.420  1.0
  Co  Co20  1  0.510  0.830  0.830  1.0
  Co  Co21  1  0.830  0.510  0.830  1.0
  Co  Co22  1  0.830  0.830  0.510  1.0
  Co  Co23  1  0.830  0.830  0.830  1.0
  C  C24  1  0.625  0.125  0.125  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.125  0.125  0.625  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
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The crystal structure described by Nb4Co2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent C(1) atoms. Co(1) is bonded in a 12-coordinate geometry to three equivalent Nb(1), six equivalent Nb(2), and three equivalent Co(1) atoms. C(1) is bonded to six equivalent Nb(2) atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4Co2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.264
_cell_length_b   8.264
_cell_length_c   8.264
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   399.135
_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  0.125  0.625  0.625  1.0
  Nb  Nb1  1  0.625  0.125  0.625  1.0
  Nb  Nb2  1  0.625  0.625  0.125  1.0
  Nb  Nb3  1  0.625  0.625  0.625  1.0
  Nb  Nb4  1  0.813  0.813  0.187  1.0
  Nb  Nb5  1  0.187  0.187  0.813  1.0
  Nb  Nb6  1  0.813  0.187  0.813  1.0
  Nb  Nb7  1  0.187  0.813  0.187  1.0
  Nb  Nb8  1  0.187  0.813  0.813  1.0
  Nb  Nb9  1  0.813  0.187  0.187  1.0
  Nb  Nb10  1  0.437  0.437  0.063  1.0
  Nb  Nb11  1  0.063  0.063  0.437  1.0
  Nb  Nb12  1  0.437  0.063  0.437  1.0
  Nb  Nb13  1  0.063  0.437  0.063  1.0
  Nb  Nb14  1  0.063  0.437  0.437  1.0
  Nb  Nb15  1  0.437  0.063  0.063  1.0
  Co  Co16  1  0.740  0.420  0.420  1.0
  Co  Co17  1  0.420  0.740  0.420  1.0
  Co  Co18  1  0.420  0.420  0.740  1.0
  Co  Co19  1  0.420  0.420  0.420  1.0
  Co  Co20  1  0.510  0.830  0.830  1.0
  Co  Co21  1  0.830  0.510  0.830  1.0
  Co  Co22  1  0.830  0.830  0.510  1.0
  Co  Co23  1  0.830  0.830  0.830  1.0
  C  C24  1  0.625  0.125  0.125  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.125  0.125  0.625  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
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