The crystal structure described by Nb4C3 crystallizes in the cubic Pm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent C(1) atoms to form corner-sharing NbC6 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to two equivalent Nb(2) and four equivalent Nb(1) atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   4.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.361
_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  0.000  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.500  0.000  0.500  1.0
  C  C5  1  0.500  0.500  0.000  1.0
  C  C6  1  0.000  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Nb4C3 crystallizes in the cubic Pm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent C(1) atoms to form corner-sharing NbC6 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to two equivalent Nb(2) and four equivalent Nb(1) atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   4.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.361
_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  0.000  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.500  0.000  0.500  1.0
  C  C5  1  0.500  0.500  0.000  1.0
  C  C6  1  0.000  0.500  0.500  1.0
[/CIF]
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