The crystal structure described by Al5(NiO4)3 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form NiO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra,  a cornercorner with one Al(9)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Al(3)O4 tetrahedra, corners with three equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, and  an edgeedge with one Al(6)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Al(10)O4 tetrahedra, corners with three equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra,  an edgeedge with one Al(8)O6 octahedra, and  an edgeedge with one Al(9)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(15), one O(17), one O(20), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with two equivalent Al(10)O4 tetrahedra, corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(8)O6 octahedra, and edges with two equivalent Al(9)O6 octahedra. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form AlO6 octahedra that share corners with three equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(8)O6 octahedra, and  an edgeedge with one Al(9)O6 octahedra. In the third Al site, Al(3) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the fourth Al site, Al(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(10), one O(13), one O(18), and one O(19) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Al(8)O6 octahedra, corners with two equivalent Al(9)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the sixth Al site, Al(6) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with two equivalent Al(10)O4 tetrahedra, corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. In the seventh Al site, Al(7) is bonded to one O(11), one O(17), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the eighth Al site, Al(8) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Al(9)O6 octahedra. In the ninth Al site, Al(9) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. In the tenth Al site, Al(10) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra,  a cornercorner with one Al(9)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(3), one Al(1), one Al(3), and one Al(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(2), and one Al(4) atom. In the fourth O site, O(4) is bonded to one Ni(1), one Al(1), one Al(2), and one Al(4) atom to form distorted corner-sharing OAl3Ni trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Al(1), one Al(4), and one Al(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(5), and one Al(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Al(4), and one Al(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3), one Al(1), and one Al(4) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(5), one Al(3), and one Al(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(5), one Al(5), and one Al(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Al(1), and one Al(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(2), one Al(3), and one Al(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), one Al(5), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(4), one Al(10), and one Al(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(5), one Al(10), and one Al(6) atom. In the sixteenth O site, O(16) is bonded to one Ni(1), one Ni(6), one Al(8), and one Al(9) atom to form distorted corner-sharing OAl2Ni2 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Ni(5), one Al(6), and one Al(7) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), one Al(5), and one Al(9) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), one Al(5), one Al(8), and one Al(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(5), and one Al(10) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Al(2), one Al(8), and one Al(9) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6), one Al(2), and one Al(9) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Ni(6), one Al(10), one Al(8), and one Al(9) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6), one Al(2), and one Al(8) atom. is represented by the CIF file [CIF]
data_Al5(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   5.697
_cell_length_c   14.080
_cell_angle_alpha   89.203
_cell_angle_beta   91.753
_cell_angle_gamma   119.872
_symmetry_Int_Tables_number   1
_cell_volume   394.948
_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  0.161  0.829  0.834  1.0
  Al  Al1  1  0.501  0.999  0.999  1.0
  Al  Al2  1  0.517  0.008  0.623  1.0
  Al  Al3  1  0.660  0.332  0.834  1.0
  Al  Al4  1  0.844  0.673  0.294  1.0
  Al  Al5  1  0.999  0.999  0.500  1.0
  Al  Al6  1  0.156  0.327  0.702  1.0
  Al  Al7  1  0.834  0.169  0.168  1.0
  Al  Al8  1  0.342  0.672  0.168  1.0
  Al  Al9  1  0.484  0.989  0.377  1.0
  Ni  Ni10  1  0.174  0.328  0.965  1.0
  Ni  Ni11  1  0.832  0.665  0.663  1.0
  Ni  Ni12  1  0.661  0.829  0.830  1.0
  Ni  Ni13  1  0.169  0.334  0.336  1.0
  Ni  Ni14  1  0.999  0.500  0.499  1.0
  Ni  Ni15  1  0.342  0.169  0.167  1.0
  O  O16  1  0.335  0.699  0.915  1.0
  O  O17  1  0.495  0.998  0.754  1.0
  O  O18  1  0.798  0.160  0.914  1.0
  O  O19  1  0.348  0.146  0.906  1.0
  O  O20  1  0.990  0.503  0.751  1.0
  O  O21  1  0.698  0.356  0.585  1.0
  O  O22  1  0.499  0.486  0.751  1.0
  O  O23  1  0.831  0.667  0.894  1.0
  O  O24  1  0.175  0.857  0.579  1.0
  O  O25  1  0.859  0.682  0.420  1.0
  O  O26  1  0.999  0.980  0.748  1.0
  O  O27  1  0.698  0.846  0.585  1.0
  O  O28  1  0.011  0.021  0.248  1.0
  O  O29  1  0.302  0.153  0.415  1.0
  O  O30  1  0.826  0.145  0.421  1.0
  O  O31  1  0.150  0.353  0.102  1.0
  O  O32  1  0.143  0.321  0.577  1.0
  O  O33  1  0.500  0.506  0.247  1.0
  O  O34  1  0.012  0.494  0.250  1.0
  O  O35  1  0.302  0.643  0.415  1.0
  O  O36  1  0.645  0.860  0.093  1.0
  O  O37  1  0.212  0.860  0.091  1.0
  O  O38  1  0.516  0.990  0.250  1.0
  O  O39  1  0.643  0.291  0.090  1.0
[/CIF]
.
The crystal structure described by Al5(NiO4)3 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form NiO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra,  a cornercorner with one Al(9)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Al(3)O4 tetrahedra, corners with three equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, and  an edgeedge with one Al(6)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Al(10)O4 tetrahedra, corners with three equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra,  an edgeedge with one Al(8)O6 octahedra, and  an edgeedge with one Al(9)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(15), one O(17), one O(20), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with two equivalent Al(10)O4 tetrahedra, corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Al(8)O6 octahedra, and edges with two equivalent Al(9)O6 octahedra. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form AlO6 octahedra that share corners with three equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(8)O6 octahedra, and  an edgeedge with one Al(9)O6 octahedra. In the third Al site, Al(3) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the fourth Al site, Al(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(10), one O(13), one O(18), and one O(19) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Al(8)O6 octahedra, corners with two equivalent Al(9)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the sixth Al site, Al(6) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with two equivalent Al(10)O4 tetrahedra, corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. In the seventh Al site, Al(7) is bonded to one O(11), one O(17), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the eighth Al site, Al(8) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Al(9)O6 octahedra. In the ninth Al site, Al(9) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Al(10)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. In the tenth Al site, Al(10) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra,  a cornercorner with one Al(9)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(3), one Al(1), one Al(3), and one Al(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(2), and one Al(4) atom. In the fourth O site, O(4) is bonded to one Ni(1), one Al(1), one Al(2), and one Al(4) atom to form distorted corner-sharing OAl3Ni trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Al(1), one Al(4), and one Al(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(5), and one Al(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Al(4), and one Al(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3), one Al(1), and one Al(4) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(5), one Al(3), and one Al(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(5), one Al(5), and one Al(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Al(1), and one Al(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(2), one Al(3), and one Al(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), one Al(5), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(4), one Al(10), and one Al(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(5), one Al(10), and one Al(6) atom. In the sixteenth O site, O(16) is bonded to one Ni(1), one Ni(6), one Al(8), and one Al(9) atom to form distorted corner-sharing OAl2Ni2 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Ni(5), one Al(6), and one Al(7) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ni(4), one Ni(6), one Al(5), and one Al(9) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), one Al(5), one Al(8), and one Al(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(5), and one Al(10) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Al(2), one Al(8), and one Al(9) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6), one Al(2), and one Al(9) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Ni(6), one Al(10), one Al(8), and one Al(9) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6), one Al(2), and one Al(8) atom. is represented by the CIF file [CIF]
data_Al5(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   5.697
_cell_length_c   14.080
_cell_angle_alpha   89.203
_cell_angle_beta   91.753
_cell_angle_gamma   119.872
_symmetry_Int_Tables_number   1
_cell_volume   394.948
_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  0.161  0.829  0.834  1.0
  Al  Al1  1  0.501  0.999  0.999  1.0
  Al  Al2  1  0.517  0.008  0.623  1.0
  Al  Al3  1  0.660  0.332  0.834  1.0
  Al  Al4  1  0.844  0.673  0.294  1.0
  Al  Al5  1  0.999  0.999  0.500  1.0
  Al  Al6  1  0.156  0.327  0.702  1.0
  Al  Al7  1  0.834  0.169  0.168  1.0
  Al  Al8  1  0.342  0.672  0.168  1.0
  Al  Al9  1  0.484  0.989  0.377  1.0
  Ni  Ni10  1  0.174  0.328  0.965  1.0
  Ni  Ni11  1  0.832  0.665  0.663  1.0
  Ni  Ni12  1  0.661  0.829  0.830  1.0
  Ni  Ni13  1  0.169  0.334  0.336  1.0
  Ni  Ni14  1  0.999  0.500  0.499  1.0
  Ni  Ni15  1  0.342  0.169  0.167  1.0
  O  O16  1  0.335  0.699  0.915  1.0
  O  O17  1  0.495  0.998  0.754  1.0
  O  O18  1  0.798  0.160  0.914  1.0
  O  O19  1  0.348  0.146  0.906  1.0
  O  O20  1  0.990  0.503  0.751  1.0
  O  O21  1  0.698  0.356  0.585  1.0
  O  O22  1  0.499  0.486  0.751  1.0
  O  O23  1  0.831  0.667  0.894  1.0
  O  O24  1  0.175  0.857  0.579  1.0
  O  O25  1  0.859  0.682  0.420  1.0
  O  O26  1  0.999  0.980  0.748  1.0
  O  O27  1  0.698  0.846  0.585  1.0
  O  O28  1  0.011  0.021  0.248  1.0
  O  O29  1  0.302  0.153  0.415  1.0
  O  O30  1  0.826  0.145  0.421  1.0
  O  O31  1  0.150  0.353  0.102  1.0
  O  O32  1  0.143  0.321  0.577  1.0
  O  O33  1  0.500  0.506  0.247  1.0
  O  O34  1  0.012  0.494  0.250  1.0
  O  O35  1  0.302  0.643  0.415  1.0
  O  O36  1  0.645  0.860  0.093  1.0
  O  O37  1  0.212  0.860  0.091  1.0
  O  O38  1  0.516  0.990  0.250  1.0
  O  O39  1  0.643  0.291  0.090  1.0
[/CIF]
.