The material described by W2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded to three equivalent Al(1) and three equivalent C(1) atoms to form a mixture of distorted corner, edge, and face-sharing WAl3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. Al(1) is bonded in a 6-coordinate geometry to six equivalent W(1) atoms. C(1) is bonded to six equivalent W(1) atoms to form edge-sharing CW6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlW2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.007
_cell_length_b   3.007
_cell_length_c   13.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   107.580
_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  0.333  0.667  0.750  1.0
  Al  Al1  1  0.667  0.333  0.250  1.0
  W  W2  1  0.333  0.667  0.410  1.0
  W  W3  1  0.667  0.333  0.590  1.0
  W  W4  1  0.667  0.333  0.910  1.0
  W  W5  1  0.333  0.667  0.090  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 W2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded to three equivalent Al(1) and three equivalent C(1) atoms to form a mixture of distorted corner, edge, and face-sharing WAl3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. Al(1) is bonded in a 6-coordinate geometry to six equivalent W(1) atoms. C(1) is bonded to six equivalent W(1) atoms to form edge-sharing CW6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlW2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.007
_cell_length_b   3.007
_cell_length_c   13.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   107.580
_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  0.333  0.667  0.750  1.0
  Al  Al1  1  0.667  0.333  0.250  1.0
  W  W2  1  0.333  0.667  0.410  1.0
  W  W3  1  0.667  0.333  0.590  1.0
  W  W4  1  0.667  0.333  0.910  1.0
  W  W5  1  0.333  0.667  0.090  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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