The structure described by Nb2CP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted edge, face, and corner-sharing NbP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. C(1) is bonded to six equivalent Nb(1) atoms to form CNb6 octahedra that share corners with six equivalent P(1)Nb6 pentagonal pyramids, edges with six equivalent C(1)Nb6 octahedra, and edges with six equivalent P(1)Nb6 pentagonal pyramids. P(1) is bonded to six equivalent Nb(1) atoms to form distorted PNb6 pentagonal pyramids that share corners with six equivalent C(1)Nb6 octahedra, edges with six equivalent C(1)Nb6 octahedra, and edges with six equivalent P(1)Nb6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2PC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.320
_cell_length_b   3.320
_cell_length_c   11.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.611
_cell_formula_units_Z   2
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  0.400  1.0
  Nb  Nb1  1  0.667  0.333  0.900  1.0
  Nb  Nb2  1  0.667  0.333  0.600  1.0
  Nb  Nb3  1  0.333  0.667  0.100  1.0
  P  P4  1  0.667  0.333  0.250  1.0
  P  P5  1  0.333  0.667  0.750  1.0
  C  C6  1  0.000  0.000  0.500  1.0
  C  C7  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Nb2CP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted edge, face, and corner-sharing NbP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. C(1) is bonded to six equivalent Nb(1) atoms to form CNb6 octahedra that share corners with six equivalent P(1)Nb6 pentagonal pyramids, edges with six equivalent C(1)Nb6 octahedra, and edges with six equivalent P(1)Nb6 pentagonal pyramids. P(1) is bonded to six equivalent Nb(1) atoms to form distorted PNb6 pentagonal pyramids that share corners with six equivalent C(1)Nb6 octahedra, edges with six equivalent C(1)Nb6 octahedra, and edges with six equivalent P(1)Nb6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2PC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.320
_cell_length_b   3.320
_cell_length_c   11.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.611
_cell_formula_units_Z   2
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  0.400  1.0
  Nb  Nb1  1  0.667  0.333  0.900  1.0
  Nb  Nb2  1  0.667  0.333  0.600  1.0
  Nb  Nb3  1  0.333  0.667  0.100  1.0
  P  P4  1  0.667  0.333  0.250  1.0
  P  P5  1  0.333  0.667  0.750  1.0
  C  C6  1  0.000  0.000  0.500  1.0
  C  C7  1  0.000  0.000  0.000  1.0
[/CIF]
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