The compound described by PCV2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing VP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent P(1)V6 pentagonal pyramids, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. P(1) is bonded to six equivalent V(1) atoms to form distorted PV6 pentagonal pyramids that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF card [CIF]
data_V2PC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.070
_cell_length_b   3.070
_cell_length_c   10.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.392
_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
  V  V0  1  0.333  0.667  0.401  1.0
  V  V1  1  0.667  0.333  0.901  1.0
  V  V2  1  0.667  0.333  0.599  1.0
  V  V3  1  0.333  0.667  0.099  1.0
  P  P4  1  0.333  0.667  0.750  1.0
  P  P5  1  0.667  0.333  0.250  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by PCV2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing VP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent P(1)V6 pentagonal pyramids, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. P(1) is bonded to six equivalent V(1) atoms to form distorted PV6 pentagonal pyramids that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF card [CIF]
data_V2PC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.070
_cell_length_b   3.070
_cell_length_c   10.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.392
_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
  V  V0  1  0.333  0.667  0.401  1.0
  V  V1  1  0.667  0.333  0.901  1.0
  V  V2  1  0.667  0.333  0.599  1.0
  V  V3  1  0.333  0.667  0.099  1.0
  P  P4  1  0.333  0.667  0.750  1.0
  P  P5  1  0.667  0.333  0.250  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.000  0.000  0.500  1.0
[/CIF]
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