The crystal structure described by Al5(CuO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(9), and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Cu site, Cu(2) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form CuO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(2)O6 octahedra, and corners with four equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Cu site, Cu(3) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form CuO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, corners with three equivalent Al(2)O6 octahedra, and corners with four equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Al(3)O6 octahedra. In the second Al site, Al(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra, corners with three equivalent Cu(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Cu(3)O4 tetrahedra, corners with four equivalent Cu(2)O4 tetrahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Al(1), one Al(2), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Al(1), and one Al(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Al(3) atoms. In the fifth O site, O(5) is bonded to one Cu(2), one Al(2), and two equivalent Al(4) atoms to form distorted corner-sharing OAl3Cu trigonal pyramids. In the sixth O site, O(6) is bonded to one Cu(3), one Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the seventh O site, O(7) is bonded to one Cu(2), one Al(1), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Cu trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Al(4) atoms. In the ninth O site, O(9) is bonded to one Cu(1), one Al(1), and two equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. is represented by the CIF file [CIF]
data_Al5(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.794
_cell_length_b   5.794
_cell_length_c   14.165
_cell_angle_alpha   89.699
_cell_angle_beta   89.699
_cell_angle_gamma   59.672
_symmetry_Int_Tables_number   1
_cell_volume   410.502
_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  0.334  0.334  0.836  1.0
  Al  Al1  1  0.666  0.666  0.164  1.0
  Al  Al2  1  0.164  0.164  0.666  1.0
  Al  Al3  1  0.836  0.836  0.334  1.0
  Al  Al4  1  0.831  0.335  0.836  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.169  0.665  0.164  1.0
  Al  Al7  1  0.335  0.831  0.836  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.665  0.169  0.164  1.0
  Cu  Cu10  1  0.833  0.833  0.957  1.0
  Cu  Cu11  1  0.502  0.502  0.620  1.0
  Cu  Cu12  1  0.165  0.165  0.294  1.0
  Cu  Cu13  1  0.835  0.835  0.706  1.0
  Cu  Cu14  1  0.498  0.498  0.380  1.0
  Cu  Cu15  1  0.167  0.167  0.043  1.0
  O  O16  1  0.021  0.460  0.755  1.0
  O  O17  1  0.658  0.135  0.414  1.0
  O  O18  1  0.341  0.819  0.098  1.0
  O  O19  1  0.181  0.659  0.902  1.0
  O  O20  1  0.865  0.342  0.586  1.0
  O  O21  1  0.540  0.979  0.245  1.0
  O  O22  1  0.659  0.659  0.902  1.0
  O  O23  1  0.316  0.316  0.579  1.0
  O  O24  1  0.980  0.980  0.245  1.0
  O  O25  1  0.500  0.500  0.763  1.0
  O  O26  1  0.182  0.182  0.427  1.0
  O  O27  1  0.834  0.834  0.095  1.0
  O  O28  1  0.020  0.020  0.755  1.0
  O  O29  1  0.684  0.684  0.421  1.0
  O  O30  1  0.341  0.341  0.098  1.0
  O  O31  1  0.166  0.166  0.905  1.0
  O  O32  1  0.818  0.818  0.573  1.0
  O  O33  1  0.500  0.500  0.237  1.0
  O  O34  1  0.659  0.181  0.902  1.0
  O  O35  1  0.342  0.865  0.586  1.0
  O  O36  1  0.979  0.540  0.245  1.0
  O  O37  1  0.460  0.021  0.755  1.0
  O  O38  1  0.135  0.658  0.414  1.0
  O  O39  1  0.819  0.341  0.098  1.0
[/CIF]
.
The crystal structure described by Al5(CuO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(9), and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Cu site, Cu(2) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form CuO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(2)O6 octahedra, and corners with four equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Cu site, Cu(3) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form CuO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, corners with three equivalent Al(2)O6 octahedra, and corners with four equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Al(3)O6 octahedra. In the second Al site, Al(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra, corners with three equivalent Cu(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Cu(3)O4 tetrahedra, corners with four equivalent Cu(2)O4 tetrahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Al(1), one Al(2), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Al(1), and one Al(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Al(3) atoms. In the fifth O site, O(5) is bonded to one Cu(2), one Al(2), and two equivalent Al(4) atoms to form distorted corner-sharing OAl3Cu trigonal pyramids. In the sixth O site, O(6) is bonded to one Cu(3), one Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the seventh O site, O(7) is bonded to one Cu(2), one Al(1), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Cu trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Al(4) atoms. In the ninth O site, O(9) is bonded to one Cu(1), one Al(1), and two equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. is represented by the CIF file [CIF]
data_Al5(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.794
_cell_length_b   5.794
_cell_length_c   14.165
_cell_angle_alpha   89.699
_cell_angle_beta   89.699
_cell_angle_gamma   59.672
_symmetry_Int_Tables_number   1
_cell_volume   410.502
_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  0.334  0.334  0.836  1.0
  Al  Al1  1  0.666  0.666  0.164  1.0
  Al  Al2  1  0.164  0.164  0.666  1.0
  Al  Al3  1  0.836  0.836  0.334  1.0
  Al  Al4  1  0.831  0.335  0.836  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.169  0.665  0.164  1.0
  Al  Al7  1  0.335  0.831  0.836  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.665  0.169  0.164  1.0
  Cu  Cu10  1  0.833  0.833  0.957  1.0
  Cu  Cu11  1  0.502  0.502  0.620  1.0
  Cu  Cu12  1  0.165  0.165  0.294  1.0
  Cu  Cu13  1  0.835  0.835  0.706  1.0
  Cu  Cu14  1  0.498  0.498  0.380  1.0
  Cu  Cu15  1  0.167  0.167  0.043  1.0
  O  O16  1  0.021  0.460  0.755  1.0
  O  O17  1  0.658  0.135  0.414  1.0
  O  O18  1  0.341  0.819  0.098  1.0
  O  O19  1  0.181  0.659  0.902  1.0
  O  O20  1  0.865  0.342  0.586  1.0
  O  O21  1  0.540  0.979  0.245  1.0
  O  O22  1  0.659  0.659  0.902  1.0
  O  O23  1  0.316  0.316  0.579  1.0
  O  O24  1  0.980  0.980  0.245  1.0
  O  O25  1  0.500  0.500  0.763  1.0
  O  O26  1  0.182  0.182  0.427  1.0
  O  O27  1  0.834  0.834  0.095  1.0
  O  O28  1  0.020  0.020  0.755  1.0
  O  O29  1  0.684  0.684  0.421  1.0
  O  O30  1  0.341  0.341  0.098  1.0
  O  O31  1  0.166  0.166  0.905  1.0
  O  O32  1  0.818  0.818  0.573  1.0
  O  O33  1  0.500  0.500  0.237  1.0
  O  O34  1  0.659  0.181  0.902  1.0
  O  O35  1  0.342  0.865  0.586  1.0
  O  O36  1  0.979  0.540  0.245  1.0
  O  O37  1  0.460  0.021  0.755  1.0
  O  O38  1  0.135  0.658  0.414  1.0
  O  O39  1  0.819  0.341  0.098  1.0
[/CIF]
.