The structure described by Al4(NiO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Ni site, Ni(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 NiO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form AlO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Al site, Al(2) is bonded to one O(11), one O(2), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and  an edgeedge with one Al(4)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(4), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(3), and one Al(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(3), one Al(1), and one Al(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(4), one Al(2), and one Al(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ni(3), one Al(3), and one Al(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(2), and one Al(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ni(2) and one Ni(4) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(1), and one Al(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Al(1), and one Al(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(2), one Al(2), and one Al(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ni(1), one Al(3), and one Al(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.629
_cell_length_c   17.326
_cell_angle_alpha   60.296
_cell_angle_beta   58.682
_cell_angle_gamma   61.165
_symmetry_Int_Tables_number   1
_cell_volume   394.844
_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  0.119  0.091  0.055  1.0
  Al  Al1  1  0.130  0.115  0.368  1.0
  Al  Al2  1  0.503  0.495  0.333  1.0
  Al  Al3  1  0.497  0.505  0.667  1.0
  Al  Al4  1  0.506  0.498  0.151  1.0
  Al  Al5  1  0.494  0.502  0.849  1.0
  Al  Al6  1  0.870  0.885  0.632  1.0
  Al  Al7  1  0.881  0.909  0.945  1.0
  Ni  Ni8  1  0.509  0.990  0.160  1.0
  Ni  Ni9  1  0.500  0.000  0.500  1.0
  Ni  Ni10  1  0.491  0.010  0.840  1.0
  Ni  Ni11  1  0.995  0.503  0.161  1.0
  Ni  Ni12  1  0.000  0.500  0.500  1.0
  Ni  Ni13  1  0.005  0.497  0.839  1.0
  O  O14  1  0.244  0.226  0.096  1.0
  O  O15  1  0.260  0.253  0.407  1.0
  O  O16  1  0.264  0.250  0.766  1.0
  O  O17  1  0.251  0.717  0.092  1.0
  O  O18  1  0.250  0.734  0.406  1.0
  O  O19  1  0.287  0.676  0.766  1.0
  O  O20  1  0.281  0.235  0.237  1.0
  O  O21  1  0.250  0.260  0.563  1.0
  O  O22  1  0.270  0.234  0.924  1.0
  O  O23  1  0.742  0.239  0.087  1.0
  O  O24  1  0.747  0.243  0.401  1.0
  O  O25  1  0.678  0.286  0.763  1.0
  O  O26  1  0.322  0.714  0.237  1.0
  O  O27  1  0.253  0.757  0.599  1.0
  O  O28  1  0.258  0.761  0.913  1.0
  O  O29  1  0.713  0.324  0.234  1.0
  O  O30  1  0.750  0.266  0.594  1.0
  O  O31  1  0.749  0.283  0.908  1.0
  O  O32  1  0.730  0.766  0.076  1.0
  O  O33  1  0.750  0.740  0.437  1.0
  O  O34  1  0.719  0.765  0.763  1.0
  O  O35  1  0.736  0.750  0.234  1.0
  O  O36  1  0.740  0.747  0.593  1.0
  O  O37  1  0.756  0.774  0.904  1.0
[/CIF]
.
The structure described by Al4(NiO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Ni site, Ni(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 NiO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form AlO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Al site, Al(2) is bonded to one O(11), one O(2), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and  an edgeedge with one Al(4)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(4), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(3), and one Al(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(3), one Al(1), and one Al(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(4), one Al(2), and one Al(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ni(3), one Al(3), and one Al(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(2), and one Al(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ni(2) and one Ni(4) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Al(1), and one Al(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Al(1), and one Al(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(2), one Al(2), and one Al(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ni(1), one Al(3), and one Al(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.629
_cell_length_c   17.326
_cell_angle_alpha   60.296
_cell_angle_beta   58.682
_cell_angle_gamma   61.165
_symmetry_Int_Tables_number   1
_cell_volume   394.844
_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  0.119  0.091  0.055  1.0
  Al  Al1  1  0.130  0.115  0.368  1.0
  Al  Al2  1  0.503  0.495  0.333  1.0
  Al  Al3  1  0.497  0.505  0.667  1.0
  Al  Al4  1  0.506  0.498  0.151  1.0
  Al  Al5  1  0.494  0.502  0.849  1.0
  Al  Al6  1  0.870  0.885  0.632  1.0
  Al  Al7  1  0.881  0.909  0.945  1.0
  Ni  Ni8  1  0.509  0.990  0.160  1.0
  Ni  Ni9  1  0.500  0.000  0.500  1.0
  Ni  Ni10  1  0.491  0.010  0.840  1.0
  Ni  Ni11  1  0.995  0.503  0.161  1.0
  Ni  Ni12  1  0.000  0.500  0.500  1.0
  Ni  Ni13  1  0.005  0.497  0.839  1.0
  O  O14  1  0.244  0.226  0.096  1.0
  O  O15  1  0.260  0.253  0.407  1.0
  O  O16  1  0.264  0.250  0.766  1.0
  O  O17  1  0.251  0.717  0.092  1.0
  O  O18  1  0.250  0.734  0.406  1.0
  O  O19  1  0.287  0.676  0.766  1.0
  O  O20  1  0.281  0.235  0.237  1.0
  O  O21  1  0.250  0.260  0.563  1.0
  O  O22  1  0.270  0.234  0.924  1.0
  O  O23  1  0.742  0.239  0.087  1.0
  O  O24  1  0.747  0.243  0.401  1.0
  O  O25  1  0.678  0.286  0.763  1.0
  O  O26  1  0.322  0.714  0.237  1.0
  O  O27  1  0.253  0.757  0.599  1.0
  O  O28  1  0.258  0.761  0.913  1.0
  O  O29  1  0.713  0.324  0.234  1.0
  O  O30  1  0.750  0.266  0.594  1.0
  O  O31  1  0.749  0.283  0.908  1.0
  O  O32  1  0.730  0.766  0.076  1.0
  O  O33  1  0.750  0.740  0.437  1.0
  O  O34  1  0.719  0.765  0.763  1.0
  O  O35  1  0.736  0.750  0.234  1.0
  O  O36  1  0.740  0.747  0.593  1.0
  O  O37  1  0.756  0.774  0.904  1.0
[/CIF]
.