The structure described by WAl3C4 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(4) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. In the second Al site, Al(2) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted face, corner, and edge-sharing AlC6 pentagonal pyramids. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to two equivalent C(4) and four equivalent C(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded to two equivalent W(1) and four equivalent Al(1) atoms to form distorted CAl4W2 pentagonal pyramids that share corners with four equivalent C(1)Al4W2 pentagonal pyramids, corners with four equivalent C(2)Al6 pentagonal pyramids, edges with two equivalent C(1)Al4W2 pentagonal pyramids, edges with two equivalent C(2)Al6 pentagonal pyramids, and faces with two equivalent C(1)Al4W2 pentagonal pyramids. In the second C site, C(2) is bonded to two equivalent Al(1) and four equivalent Al(2) atoms to form distorted CAl6 pentagonal pyramids that share corners with four equivalent C(1)Al4W2 pentagonal pyramids, corners with four equivalent C(2)Al6 pentagonal pyramids, corners with four equivalent C(3)Al6 pentagonal pyramids, edges with two equivalent C(1)Al4W2 pentagonal pyramids, edges with two equivalent C(2)Al6 pentagonal pyramids, edges with two equivalent C(3)Al6 pentagonal pyramids, and faces with two equivalent C(2)Al6 pentagonal pyramids. In the third C site, C(3) is bonded to two equivalent Al(2) and four equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing CAl6 pentagonal pyramids. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to four equivalent W(1) and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Al3WC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.664
_cell_length_b   3.031
_cell_length_c   10.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.263
_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  0.246  1.0
  Al  Al1  1  0.000  0.500  0.498  1.0
  Al  Al2  1  0.000  0.000  0.747  1.0
  W  W3  1  0.000  0.500  0.006  1.0
  C  C4  1  0.500  0.500  0.161  1.0
  C  C5  1  0.500  0.000  0.415  1.0
  C  C6  1  0.500  0.500  0.667  1.0
  C  C7  1  0.500  0.000  0.927  1.0
[/CIF]
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The structure described by WAl3C4 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(4) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. In the second Al site, Al(2) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted face, corner, and edge-sharing AlC6 pentagonal pyramids. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to two equivalent C(4) and four equivalent C(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded to two equivalent W(1) and four equivalent Al(1) atoms to form distorted CAl4W2 pentagonal pyramids that share corners with four equivalent C(1)Al4W2 pentagonal pyramids, corners with four equivalent C(2)Al6 pentagonal pyramids, edges with two equivalent C(1)Al4W2 pentagonal pyramids, edges with two equivalent C(2)Al6 pentagonal pyramids, and faces with two equivalent C(1)Al4W2 pentagonal pyramids. In the second C site, C(2) is bonded to two equivalent Al(1) and four equivalent Al(2) atoms to form distorted CAl6 pentagonal pyramids that share corners with four equivalent C(1)Al4W2 pentagonal pyramids, corners with four equivalent C(2)Al6 pentagonal pyramids, corners with four equivalent C(3)Al6 pentagonal pyramids, edges with two equivalent C(1)Al4W2 pentagonal pyramids, edges with two equivalent C(2)Al6 pentagonal pyramids, edges with two equivalent C(3)Al6 pentagonal pyramids, and faces with two equivalent C(2)Al6 pentagonal pyramids. In the third C site, C(3) is bonded to two equivalent Al(2) and four equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing CAl6 pentagonal pyramids. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to four equivalent W(1) and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Al3WC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.664
_cell_length_b   3.031
_cell_length_c   10.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.263
_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  0.246  1.0
  Al  Al1  1  0.000  0.500  0.498  1.0
  Al  Al2  1  0.000  0.000  0.747  1.0
  W  W3  1  0.000  0.500  0.006  1.0
  C  C4  1  0.500  0.500  0.161  1.0
  C  C5  1  0.500  0.000  0.415  1.0
  C  C6  1  0.500  0.500  0.667  1.0
  C  C7  1  0.500  0.000  0.927  1.0
[/CIF]
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