The compound described by WAlC2 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Pmm2 space group. W(1) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. Al(1) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent W(1) and four equivalent Al(1) atoms. In the second C site, C(2) is bonded to four equivalent W(1) and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing CAl2W4 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.796
_cell_length_b   2.995
_cell_length_c   5.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   42.340
_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  0.000  0.000  0.481  1.0
  W  W1  1  0.000  0.500  0.004  1.0
  C  C2  1  0.500  0.500  0.325  1.0
  C  C3  1  0.500  0.000  0.856  1.0
[/CIF]
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The compound described by WAlC2 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Pmm2 space group. W(1) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. Al(1) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent W(1) and four equivalent Al(1) atoms. In the second C site, C(2) is bonded to four equivalent W(1) and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing CAl2W4 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.796
_cell_length_b   2.995
_cell_length_c   5.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   42.340
_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  0.000  0.000  0.481  1.0
  W  W1  1  0.000  0.500  0.004  1.0
  C  C2  1  0.500  0.500  0.325  1.0
  C  C3  1  0.500  0.000  0.856  1.0
[/CIF]
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