The structure described by Al4CO crystallizes in the triclinic P1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in an L-shaped geometry to two equivalent C(1) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one C(1) and one O(1) atom. In the third Al site, Al(3) is bonded in a water-like geometry to one C(1) and one O(1) atom. In the fourth Al site, Al(4) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent O(1) atoms. C(1) is bonded to one Al(2), one Al(3), two equivalent Al(1), and two equivalent Al(4) atoms to form distorted CAl6 octahedra that share corners with four equivalent O(1)Al4 tetrahedra, edges with two equivalent C(1)Al6 octahedra, and  an edgeedge with one O(1)Al4 tetrahedra. O(1) is bonded to one Al(2), one Al(3), and two equivalent Al(4) atoms to form OAl4 tetrahedra that share corners with four equivalent C(1)Al6 octahedra, corners with two equivalent O(1)Al4 tetrahedra, and  an edgeedge with one C(1)Al6 octahedra. The corner-sharing octahedral tilt angles range from 11-70°. is represented by the CIF card [CIF]
data_Al4CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.930
_cell_length_b   5.123
_cell_length_c   5.181
_cell_angle_alpha   91.257
_cell_angle_beta   91.455
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   77.714
_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  0.029  0.783  0.602  1.0
  Al  Al1  1  0.552  0.919  0.086  1.0
  Al  Al2  1  0.541  0.226  0.576  1.0
  Al  Al3  1  0.044  0.453  0.028  1.0
  C  C4  1  0.534  0.568  0.777  1.0
  O  O5  1  0.547  0.287  0.219  1.0
[/CIF]
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The structure described by Al4CO crystallizes in the triclinic P1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in an L-shaped geometry to two equivalent C(1) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one C(1) and one O(1) atom. In the third Al site, Al(3) is bonded in a water-like geometry to one C(1) and one O(1) atom. In the fourth Al site, Al(4) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent O(1) atoms. C(1) is bonded to one Al(2), one Al(3), two equivalent Al(1), and two equivalent Al(4) atoms to form distorted CAl6 octahedra that share corners with four equivalent O(1)Al4 tetrahedra, edges with two equivalent C(1)Al6 octahedra, and  an edgeedge with one O(1)Al4 tetrahedra. O(1) is bonded to one Al(2), one Al(3), and two equivalent Al(4) atoms to form OAl4 tetrahedra that share corners with four equivalent C(1)Al6 octahedra, corners with two equivalent O(1)Al4 tetrahedra, and  an edgeedge with one C(1)Al6 octahedra. The corner-sharing octahedral tilt angles range from 11-70°. is represented by the CIF card [CIF]
data_Al4CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.930
_cell_length_b   5.123
_cell_length_c   5.181
_cell_angle_alpha   91.257
_cell_angle_beta   91.455
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   77.714
_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  0.029  0.783  0.602  1.0
  Al  Al1  1  0.552  0.919  0.086  1.0
  Al  Al2  1  0.541  0.226  0.576  1.0
  Al  Al3  1  0.044  0.453  0.028  1.0
  C  C4  1  0.534  0.568  0.777  1.0
  O  O5  1  0.547  0.287  0.219  1.0
[/CIF]
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