The material structure described by Al4CN3O crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(1), one N(1), one N(2), and one O(1) atom to form distorted AlCN2O tetrahedra that share  a cornercorner with one Al(1)CN2O tetrahedra, corners with three equivalent Al(3)CN2O tetrahedra, corners with three equivalent Al(2)CN3 tetrahedra, and  an edgeedge with one Al(1)CN2O tetrahedra. In the second Al site, Al(2) is bonded to one C(1), one N(2), and two equivalent N(1) atoms to form corner-sharing AlCN3 tetrahedra. In the third Al site, Al(3) is bonded to one C(1), two equivalent N(1), and one O(1) atom to form AlCN2O tetrahedra that share corners with three equivalent Al(2)CN3 tetrahedra and corners with six equivalent Al(1)CN2O tetrahedra. C(1) is bonded in a tetrahedral geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Al(2) and two equivalent Al(1) atoms. O(1) is bonded in a distorted T-shaped geometry to one Al(3) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al4CN3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   5.397
_cell_length_c   9.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.033
_symmetry_Int_Tables_number   1
_cell_volume   244.782
_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  0.895  0.549  0.391  1.0
  Al  Al1  1  0.451  0.105  0.391  1.0
  Al  Al2  1  0.105  0.451  0.891  1.0
  Al  Al3  1  0.549  0.895  0.891  1.0
  Al  Al4  1  0.049  0.951  0.677  1.0
  Al  Al5  1  0.951  0.049  0.177  1.0
  Al  Al6  1  0.403  0.597  0.592  1.0
  Al  Al7  1  0.597  0.403  0.092  1.0
  C  C8  1  0.196  0.804  0.505  1.0
  C  C9  1  0.804  0.196  0.005  1.0
  N  N10  1  0.679  0.831  0.708  1.0
  N  N11  1  0.321  0.169  0.208  1.0
  N  N12  1  0.182  0.818  0.837  1.0
  N  N13  1  0.831  0.679  0.208  1.0
  N  N14  1  0.818  0.182  0.337  1.0
  N  N15  1  0.169  0.321  0.708  1.0
  O  O16  1  0.436  0.564  0.977  1.0
  O  O17  1  0.564  0.436  0.477  1.0
[/CIF]
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The material structure described by Al4CN3O crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(1), one N(1), one N(2), and one O(1) atom to form distorted AlCN2O tetrahedra that share  a cornercorner with one Al(1)CN2O tetrahedra, corners with three equivalent Al(3)CN2O tetrahedra, corners with three equivalent Al(2)CN3 tetrahedra, and  an edgeedge with one Al(1)CN2O tetrahedra. In the second Al site, Al(2) is bonded to one C(1), one N(2), and two equivalent N(1) atoms to form corner-sharing AlCN3 tetrahedra. In the third Al site, Al(3) is bonded to one C(1), two equivalent N(1), and one O(1) atom to form AlCN2O tetrahedra that share corners with three equivalent Al(2)CN3 tetrahedra and corners with six equivalent Al(1)CN2O tetrahedra. C(1) is bonded in a tetrahedral geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Al(2) and two equivalent Al(1) atoms. O(1) is bonded in a distorted T-shaped geometry to one Al(3) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al4CN3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   5.397
_cell_length_c   9.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.033
_symmetry_Int_Tables_number   1
_cell_volume   244.782
_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  0.895  0.549  0.391  1.0
  Al  Al1  1  0.451  0.105  0.391  1.0
  Al  Al2  1  0.105  0.451  0.891  1.0
  Al  Al3  1  0.549  0.895  0.891  1.0
  Al  Al4  1  0.049  0.951  0.677  1.0
  Al  Al5  1  0.951  0.049  0.177  1.0
  Al  Al6  1  0.403  0.597  0.592  1.0
  Al  Al7  1  0.597  0.403  0.092  1.0
  C  C8  1  0.196  0.804  0.505  1.0
  C  C9  1  0.804  0.196  0.005  1.0
  N  N10  1  0.679  0.831  0.708  1.0
  N  N11  1  0.321  0.169  0.208  1.0
  N  N12  1  0.182  0.818  0.837  1.0
  N  N13  1  0.831  0.679  0.208  1.0
  N  N14  1  0.818  0.182  0.337  1.0
  N  N15  1  0.169  0.321  0.708  1.0
  O  O16  1  0.436  0.564  0.977  1.0
  O  O17  1  0.564  0.436  0.477  1.0
[/CIF]
.