The material structure described by Cr4GaAlC2 is H-Phase-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) and three equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent C(1) atoms. Ga(1) is bonded to six equivalent Cr(1) and six equivalent Ga(1) atoms to form distorted GaCr6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Cr6Ga6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Ga(1)Cr6Ga6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Ga(1)Cr6Ga6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. Al(1) is bonded to six equivalent Cr(2) and six equivalent Al(1) atoms to form AlAl6Cr6 cuboctahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Al(1)Al6Cr6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. C(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form CCr6 octahedra that share corners with three equivalent Ga(1)Cr6Ga6 cuboctahedra, corners with three equivalent Al(1)Al6Cr6 cuboctahedra, edges with three equivalent Ga(1)Cr6Ga6 cuboctahedra, edges with three equivalent Al(1)Al6Cr6 cuboctahedra, and edges with six equivalent C(1)Cr6 octahedra. is represented by the CIF card [CIF]
data_AlCr4GaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.855
_cell_length_b   2.855
_cell_length_c   12.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.027
_cell_formula_units_Z   1
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  0.000  1.0
  Cr  Cr1  1  0.667  0.333  0.665  1.0
  Cr  Cr2  1  0.333  0.667  0.834  1.0
  Cr  Cr3  1  0.333  0.667  0.166  1.0
  Cr  Cr4  1  0.667  0.333  0.335  1.0
  Ga  Ga5  1  0.333  0.667  0.500  1.0
  C  C6  1  0.000  0.000  0.750  1.0
  C  C7  1  0.000  0.000  0.250  1.0
[/CIF]
.
The material structure described by Cr4GaAlC2 is H-Phase-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) and three equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent C(1) atoms. Ga(1) is bonded to six equivalent Cr(1) and six equivalent Ga(1) atoms to form distorted GaCr6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Cr6Ga6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Ga(1)Cr6Ga6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Ga(1)Cr6Ga6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. Al(1) is bonded to six equivalent Cr(2) and six equivalent Al(1) atoms to form AlAl6Cr6 cuboctahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Al(1)Al6Cr6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. C(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form CCr6 octahedra that share corners with three equivalent Ga(1)Cr6Ga6 cuboctahedra, corners with three equivalent Al(1)Al6Cr6 cuboctahedra, edges with three equivalent Ga(1)Cr6Ga6 cuboctahedra, edges with three equivalent Al(1)Al6Cr6 cuboctahedra, and edges with six equivalent C(1)Cr6 octahedra. is represented by the CIF card [CIF]
data_AlCr4GaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.855
_cell_length_b   2.855
_cell_length_c   12.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.027
_cell_formula_units_Z   1
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  0.000  1.0
  Cr  Cr1  1  0.667  0.333  0.665  1.0
  Cr  Cr2  1  0.333  0.667  0.834  1.0
  Cr  Cr3  1  0.333  0.667  0.166  1.0
  Cr  Cr4  1  0.667  0.333  0.335  1.0
  Ga  Ga5  1  0.333  0.667  0.500  1.0
  C  C6  1  0.000  0.000  0.750  1.0
  C  C7  1  0.000  0.000  0.250  1.0
[/CIF]
.