The compound described by Al4O4C crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted rectangular see-saw-like geometry to one C(1), one O(1), one O(2), and one O(3) atom. In the second Al site, Al(2) is bonded to one C(1), one O(2), and two equivalent O(1) atoms to form corner-sharing AlCO3 tetrahedra. In the third Al site, Al(3) is bonded to one C(1), one O(3), and two equivalent O(1) atoms to form corner-sharing AlCO3 tetrahedra. C(1) is bonded in a tetrahedral geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Al(2) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(3) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   5.139
_cell_length_c   9.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.199
_symmetry_Int_Tables_number   1
_cell_volume   222.176
_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  0.893  0.565  0.500  1.0
  Al  Al1  1  0.107  0.435  1.000  1.0
  Al  Al2  1  0.435  0.107  0.500  1.0
  Al  Al3  1  0.565  0.893  1.000  1.0
  Al  Al4  1  0.602  0.398  0.210  1.0
  Al  Al5  1  0.398  0.602  0.710  1.0
  Al  Al6  1  0.938  0.062  0.290  1.0
  Al  Al7  1  0.062  0.938  0.790  1.0
  C  C8  1  0.805  0.195  0.115  1.0
  C  C9  1  0.195  0.805  0.615  1.0
  O  O10  1  0.820  0.690  0.324  1.0
  O  O11  1  0.180  0.310  0.824  1.0
  O  O12  1  0.310  0.180  0.324  1.0
  O  O13  1  0.690  0.820  0.824  1.0
  O  O14  1  0.442  0.558  0.089  1.0
  O  O15  1  0.558  0.442  0.589  1.0
  O  O16  1  0.195  0.805  0.945  1.0
  O  O17  1  0.805  0.195  0.445  1.0
[/CIF]
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The compound described by Al4O4C crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted rectangular see-saw-like geometry to one C(1), one O(1), one O(2), and one O(3) atom. In the second Al site, Al(2) is bonded to one C(1), one O(2), and two equivalent O(1) atoms to form corner-sharing AlCO3 tetrahedra. In the third Al site, Al(3) is bonded to one C(1), one O(3), and two equivalent O(1) atoms to form corner-sharing AlCO3 tetrahedra. C(1) is bonded in a tetrahedral geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Al(2) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(3) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   5.139
_cell_length_c   9.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.199
_symmetry_Int_Tables_number   1
_cell_volume   222.176
_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  0.893  0.565  0.500  1.0
  Al  Al1  1  0.107  0.435  1.000  1.0
  Al  Al2  1  0.435  0.107  0.500  1.0
  Al  Al3  1  0.565  0.893  1.000  1.0
  Al  Al4  1  0.602  0.398  0.210  1.0
  Al  Al5  1  0.398  0.602  0.710  1.0
  Al  Al6  1  0.938  0.062  0.290  1.0
  Al  Al7  1  0.062  0.938  0.790  1.0
  C  C8  1  0.805  0.195  0.115  1.0
  C  C9  1  0.195  0.805  0.615  1.0
  O  O10  1  0.820  0.690  0.324  1.0
  O  O11  1  0.180  0.310  0.824  1.0
  O  O12  1  0.310  0.180  0.324  1.0
  O  O13  1  0.690  0.820  0.824  1.0
  O  O14  1  0.442  0.558  0.089  1.0
  O  O15  1  0.558  0.442  0.589  1.0
  O  O16  1  0.195  0.805  0.945  1.0
  O  O17  1  0.805  0.195  0.445  1.0
[/CIF]
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