The structure described by Al4C3 crystallizes in the triclinic P1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one C(1), two equivalent C(2), and two equivalent C(3) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one C(2), one C(3), and two equivalent C(1) atoms. In the third Al site, Al(3) is bonded in a distorted see-saw-like geometry to one C(1), one C(3), and two equivalent C(2) atoms. In the fourth Al site, Al(4) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Al(1), one Al(3), one Al(4), and two equivalent Al(2) atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Al(2), two equivalent Al(1), two equivalent Al(3), and one C(3) atom. In the third C site, C(3) is bonded in a 7-coordinate geometry to one Al(2), one Al(3), two equivalent Al(1), two equivalent Al(4), and one C(2) atom. is represented by the CIF card [CIF]
data_Al4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.192
_cell_length_b   5.056
_cell_length_c   5.572
_cell_angle_alpha   114.246
_cell_angle_beta   86.633
_cell_angle_gamma   103.378
_symmetry_Int_Tables_number   1
_cell_volume   79.718
_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  0.040  0.174  0.760  1.0
  Al  Al1  1  0.635  0.205  0.208  1.0
  Al  Al2  1  0.258  0.661  0.685  1.0
  Al  Al3  1  0.947  0.748  0.227  1.0
  C  C4  1  0.077  0.982  0.003  1.0
  C  C5  1  0.618  0.344  0.615  1.0
  C  C6  1  0.497  0.953  0.482  1.0
[/CIF]
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The structure described by Al4C3 crystallizes in the triclinic P1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one C(1), two equivalent C(2), and two equivalent C(3) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one C(2), one C(3), and two equivalent C(1) atoms. In the third Al site, Al(3) is bonded in a distorted see-saw-like geometry to one C(1), one C(3), and two equivalent C(2) atoms. In the fourth Al site, Al(4) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Al(1), one Al(3), one Al(4), and two equivalent Al(2) atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Al(2), two equivalent Al(1), two equivalent Al(3), and one C(3) atom. In the third C site, C(3) is bonded in a 7-coordinate geometry to one Al(2), one Al(3), two equivalent Al(1), two equivalent Al(4), and one C(2) atom. is represented by the CIF card [CIF]
data_Al4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.192
_cell_length_b   5.056
_cell_length_c   5.572
_cell_angle_alpha   114.246
_cell_angle_beta   86.633
_cell_angle_gamma   103.378
_symmetry_Int_Tables_number   1
_cell_volume   79.718
_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  0.040  0.174  0.760  1.0
  Al  Al1  1  0.635  0.205  0.208  1.0
  Al  Al2  1  0.258  0.661  0.685  1.0
  Al  Al3  1  0.947  0.748  0.227  1.0
  C  C4  1  0.077  0.982  0.003  1.0
  C  C5  1  0.618  0.344  0.615  1.0
  C  C6  1  0.497  0.953  0.482  1.0
[/CIF]
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