The material described by V2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) and three equivalent C(1) atoms. Ga(1) is bonded to six equivalent V(1) atoms to form distorted GaV6 cuboctahedra that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent Ga(1)V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles are 18°. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent Ga(1)V6 cuboctahedra, edges with six equivalent Ga(1)V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   2.919
_cell_length_c   12.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.392
_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  0.414  1.0
  V  V1  1  0.667  0.333  0.586  1.0
  V  V2  1  0.667  0.333  0.914  1.0
  V  V3  1  0.333  0.667  0.086  1.0
  Ga  Ga4  1  0.333  0.667  0.750  1.0
  Ga  Ga5  1  0.667  0.333  0.250  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 material described by V2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) and three equivalent C(1) atoms. Ga(1) is bonded to six equivalent V(1) atoms to form distorted GaV6 cuboctahedra that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent Ga(1)V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles are 18°. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent Ga(1)V6 cuboctahedra, edges with six equivalent Ga(1)V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   2.919
_cell_length_c   12.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.392
_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  0.414  1.0
  V  V1  1  0.667  0.333  0.586  1.0
  V  V2  1  0.667  0.333  0.914  1.0
  V  V3  1  0.333  0.667  0.086  1.0
  Ga  Ga4  1  0.333  0.667  0.750  1.0
  Ga  Ga5  1  0.667  0.333  0.250  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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