The crystal structure described by Nb2C is zeta iron carbide-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. C(1) is bonded to three equivalent Nb(1) and three equivalent Nb(2) atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.106
_cell_length_b   4.992
_cell_length_c   11.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.134
_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  0.000  0.734  0.297  1.0
  Nb  Nb1  1  0.500  0.266  0.703  1.0
  Nb  Nb2  1  0.500  0.754  0.546  1.0
  Nb  Nb3  1  0.000  0.766  0.797  1.0
  Nb  Nb4  1  0.500  0.746  0.046  1.0
  Nb  Nb5  1  0.000  0.246  0.454  1.0
  Nb  Nb6  1  0.000  0.254  0.954  1.0
  Nb  Nb7  1  0.500  0.234  0.203  1.0
  C  C8  1  0.500  0.990  0.376  1.0
  C  C9  1  0.000  0.010  0.624  1.0
  C  C10  1  0.500  0.510  0.876  1.0
  C  C11  1  0.000  0.490  0.124  1.0
[/CIF]
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The crystal structure described by Nb2C is zeta iron carbide-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. C(1) is bonded to three equivalent Nb(1) and three equivalent Nb(2) atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.106
_cell_length_b   4.992
_cell_length_c   11.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.134
_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  0.000  0.734  0.297  1.0
  Nb  Nb1  1  0.500  0.266  0.703  1.0
  Nb  Nb2  1  0.500  0.754  0.546  1.0
  Nb  Nb3  1  0.000  0.766  0.797  1.0
  Nb  Nb4  1  0.500  0.746  0.046  1.0
  Nb  Nb5  1  0.000  0.246  0.454  1.0
  Nb  Nb6  1  0.000  0.254  0.954  1.0
  Nb  Nb7  1  0.500  0.234  0.203  1.0
  C  C8  1  0.500  0.990  0.376  1.0
  C  C9  1  0.000  0.010  0.624  1.0
  C  C10  1  0.500  0.510  0.876  1.0
  C  C11  1  0.000  0.490  0.124  1.0
[/CIF]
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