The structure described by InAlCuO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Cu(1)O5 trigonal bipyramids, and edges with three equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids, and edges with six equivalent In(1)O6 octahedra. Al(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form AlO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Al(1)O5 trigonal bipyramids, and edges with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent In(1) and one Al(1) atom to form distorted OAlIn3 trigonal pyramids that share  a cornercorner with one O(3)AlCu3 tetrahedra, corners with three equivalent O(2)In3Cu tetrahedra, corners with three equivalent O(4)Al3Cu trigonal pyramids, corners with six equivalent O(1)AlIn3 trigonal pyramids, and edges with three equivalent O(2)In3Cu tetrahedra. In the second O site, O(2) is bonded to one Cu(1) and three equivalent In(1) atoms to form OIn3Cu tetrahedra that share corners with three equivalent O(3)AlCu3 tetrahedra, corners with six equivalent O(2)In3Cu tetrahedra,  a cornercorner with one O(4)Al3Cu trigonal pyramid, corners with three equivalent O(1)AlIn3 trigonal pyramids, and edges with three equivalent O(1)AlIn3 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Cu(1) and one Al(1) atom to form OAlCu3 tetrahedra that share corners with three equivalent O(2)In3Cu tetrahedra, corners with six equivalent O(3)AlCu3 tetrahedra,  a cornercorner with one O(1)AlIn3 trigonal pyramid, and edges with three equivalent O(4)Al3Cu trigonal pyramids. In the fourth O site, O(4) is bonded to one Cu(1) and three equivalent Al(1) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(2)In3Cu tetrahedra, corners with three equivalent O(1)AlIn3 trigonal pyramids, corners with six equivalent O(4)Al3Cu trigonal pyramids, and edges with three equivalent O(3)AlCu3 tetrahedra. is represented by the CIF card [CIF]
data_AlInCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   8.519
_cell_angle_alpha   22.681
_cell_angle_beta   22.681
_cell_angle_gamma   22.681
_symmetry_Int_Tables_number   1
_cell_volume   80.655
_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  0.586  0.586  0.586  1.0
  In  In1  1  0.799  0.799  0.799  1.0
  Cu  Cu2  1  0.011  0.011  0.011  1.0
  O  O3  1  0.512  0.512  0.512  1.0
  O  O4  1  0.091  0.091  0.091  1.0
  O  O5  1  0.661  0.661  0.661  1.0
  O  O6  1  0.921  0.921  0.921  1.0
[/CIF]
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The structure described by InAlCuO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Cu(1)O5 trigonal bipyramids, and edges with three equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids, and edges with six equivalent In(1)O6 octahedra. Al(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form AlO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Al(1)O5 trigonal bipyramids, and edges with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent In(1) and one Al(1) atom to form distorted OAlIn3 trigonal pyramids that share  a cornercorner with one O(3)AlCu3 tetrahedra, corners with three equivalent O(2)In3Cu tetrahedra, corners with three equivalent O(4)Al3Cu trigonal pyramids, corners with six equivalent O(1)AlIn3 trigonal pyramids, and edges with three equivalent O(2)In3Cu tetrahedra. In the second O site, O(2) is bonded to one Cu(1) and three equivalent In(1) atoms to form OIn3Cu tetrahedra that share corners with three equivalent O(3)AlCu3 tetrahedra, corners with six equivalent O(2)In3Cu tetrahedra,  a cornercorner with one O(4)Al3Cu trigonal pyramid, corners with three equivalent O(1)AlIn3 trigonal pyramids, and edges with three equivalent O(1)AlIn3 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Cu(1) and one Al(1) atom to form OAlCu3 tetrahedra that share corners with three equivalent O(2)In3Cu tetrahedra, corners with six equivalent O(3)AlCu3 tetrahedra,  a cornercorner with one O(1)AlIn3 trigonal pyramid, and edges with three equivalent O(4)Al3Cu trigonal pyramids. In the fourth O site, O(4) is bonded to one Cu(1) and three equivalent Al(1) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(2)In3Cu tetrahedra, corners with three equivalent O(1)AlIn3 trigonal pyramids, corners with six equivalent O(4)Al3Cu trigonal pyramids, and edges with three equivalent O(3)AlCu3 tetrahedra. is represented by the CIF card [CIF]
data_AlInCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   8.519
_cell_angle_alpha   22.681
_cell_angle_beta   22.681
_cell_angle_gamma   22.681
_symmetry_Int_Tables_number   1
_cell_volume   80.655
_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  0.586  0.586  0.586  1.0
  In  In1  1  0.799  0.799  0.799  1.0
  Cu  Cu2  1  0.011  0.011  0.011  1.0
  O  O3  1  0.512  0.512  0.512  1.0
  O  O4  1  0.091  0.091  0.091  1.0
  O  O5  1  0.661  0.661  0.661  1.0
  O  O6  1  0.921  0.921  0.921  1.0
[/CIF]
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