The crystal structure described by V2AlC 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 Al(1) and three equivalent C(1) atoms. Al(1) is bonded to six equivalent V(1) and six equivalent Al(1) atoms to form AlAl6V6 cuboctahedra that share corners with six equivalent Al(1)Al6V6 cuboctahedra, corners with six equivalent C(1)V6 octahedra, edges with six equivalent Al(1)Al6V6 cuboctahedra, edges with six equivalent C(1)V6 octahedra, and faces with six equivalent Al(1)Al6V6 cuboctahedra. 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 Al(1)Al6V6 cuboctahedra, edges with six equivalent Al(1)Al6V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. is represented by the CIF card [CIF]
data_AlV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.888
_cell_length_b   2.888
_cell_length_c   13.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.631
_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
  Al  Al0  1  0.667  0.333  0.750  1.0
  Al  Al1  1  0.333  0.667  0.250  1.0
  V  V2  1  0.667  0.333  0.414  1.0
  V  V3  1  0.333  0.667  0.586  1.0
  V  V4  1  0.333  0.667  0.914  1.0
  V  V5  1  0.667  0.333  0.086  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 crystal structure described by V2AlC 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 Al(1) and three equivalent C(1) atoms. Al(1) is bonded to six equivalent V(1) and six equivalent Al(1) atoms to form AlAl6V6 cuboctahedra that share corners with six equivalent Al(1)Al6V6 cuboctahedra, corners with six equivalent C(1)V6 octahedra, edges with six equivalent Al(1)Al6V6 cuboctahedra, edges with six equivalent C(1)V6 octahedra, and faces with six equivalent Al(1)Al6V6 cuboctahedra. 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 Al(1)Al6V6 cuboctahedra, edges with six equivalent Al(1)Al6V6 cuboctahedra, and edges with six equivalent C(1)V6 octahedra. is represented by the CIF card [CIF]
data_AlV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.888
_cell_length_b   2.888
_cell_length_c   13.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.631
_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
  Al  Al0  1  0.667  0.333  0.750  1.0
  Al  Al1  1  0.333  0.667  0.250  1.0
  V  V2  1  0.667  0.333  0.414  1.0
  V  V3  1  0.333  0.667  0.586  1.0
  V  V4  1  0.333  0.667  0.914  1.0
  V  V5  1  0.667  0.333  0.086  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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