The crystal structure described by Ni2AlBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Ni site, Ni(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-61°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Ni(1), one Ni(2), and two equivalent Al(1) atoms to form OAl2Ni2 tetrahedra that share corners with three equivalent O(1)Al2Ni3 square pyramids, corners with three equivalent O(5)Al2Ni2 tetrahedra, and  an edgeedge with one O(1)Al2Ni3 square pyramid. In the second O site, O(1) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form OAl2Ni3 square pyramids that share corners with two equivalent O(1)Al2Ni3 square pyramids, corners with three equivalent O(5)Al2Ni2 tetrahedra, edges with three equivalent O(1)Al2Ni3 square pyramids, and  an edgeedge with one O(5)Al2Ni2 tetrahedra. In the third O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(2), and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Al(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(2), one Al(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlNi2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.925
_cell_length_b   9.274
_cell_length_c   12.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.204
_cell_formula_units_Z   4
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  0.000  0.239  0.386  1.0
  Al  Al1  1  0.000  0.761  0.614  1.0
  Al  Al2  1  0.000  0.261  0.886  1.0
  Al  Al3  1  0.000  0.739  0.114  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.998  0.219  1.0
  Ni  Ni7  1  0.500  0.002  0.781  1.0
  Ni  Ni8  1  0.500  0.502  0.719  1.0
  Ni  Ni9  1  0.500  0.498  0.281  1.0
  Ni  Ni10  1  0.000  0.000  0.000  1.0
  Ni  Ni11  1  0.000  0.500  0.500  1.0
  B  B12  1  0.000  0.270  0.140  1.0
  B  B13  1  0.000  0.730  0.860  1.0
  B  B14  1  0.000  0.230  0.640  1.0
  B  B15  1  0.000  0.770  0.360  1.0
  O  O16  1  0.500  0.373  0.422  1.0
  O  O17  1  0.500  0.627  0.578  1.0
  O  O18  1  0.500  0.127  0.922  1.0
  O  O19  1  0.500  0.873  0.078  1.0
  O  O20  1  0.000  0.121  0.140  1.0
  O  O21  1  0.000  0.879  0.860  1.0
  O  O22  1  0.000  0.379  0.640  1.0
  O  O23  1  0.000  0.621  0.360  1.0
  O  O24  1  0.000  0.345  0.040  1.0
  O  O25  1  0.000  0.655  0.960  1.0
  O  O26  1  0.000  0.155  0.540  1.0
  O  O27  1  0.000  0.845  0.460  1.0
  O  O28  1  0.000  0.341  0.240  1.0
  O  O29  1  0.000  0.659  0.760  1.0
  O  O30  1  0.000  0.159  0.740  1.0
  O  O31  1  0.000  0.841  0.260  1.0
  O  O32  1  0.500  0.116  0.357  1.0
  O  O33  1  0.500  0.884  0.643  1.0
  O  O34  1  0.500  0.384  0.857  1.0
  O  O35  1  0.500  0.616  0.143  1.0
[/CIF]
.
The crystal structure described by Ni2AlBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Ni site, Ni(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-61°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Ni(1), one Ni(2), and two equivalent Al(1) atoms to form OAl2Ni2 tetrahedra that share corners with three equivalent O(1)Al2Ni3 square pyramids, corners with three equivalent O(5)Al2Ni2 tetrahedra, and  an edgeedge with one O(1)Al2Ni3 square pyramid. In the second O site, O(1) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form OAl2Ni3 square pyramids that share corners with two equivalent O(1)Al2Ni3 square pyramids, corners with three equivalent O(5)Al2Ni2 tetrahedra, edges with three equivalent O(1)Al2Ni3 square pyramids, and  an edgeedge with one O(5)Al2Ni2 tetrahedra. In the third O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(2), and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Al(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(2), one Al(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlNi2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.925
_cell_length_b   9.274
_cell_length_c   12.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.204
_cell_formula_units_Z   4
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  0.000  0.239  0.386  1.0
  Al  Al1  1  0.000  0.761  0.614  1.0
  Al  Al2  1  0.000  0.261  0.886  1.0
  Al  Al3  1  0.000  0.739  0.114  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.998  0.219  1.0
  Ni  Ni7  1  0.500  0.002  0.781  1.0
  Ni  Ni8  1  0.500  0.502  0.719  1.0
  Ni  Ni9  1  0.500  0.498  0.281  1.0
  Ni  Ni10  1  0.000  0.000  0.000  1.0
  Ni  Ni11  1  0.000  0.500  0.500  1.0
  B  B12  1  0.000  0.270  0.140  1.0
  B  B13  1  0.000  0.730  0.860  1.0
  B  B14  1  0.000  0.230  0.640  1.0
  B  B15  1  0.000  0.770  0.360  1.0
  O  O16  1  0.500  0.373  0.422  1.0
  O  O17  1  0.500  0.627  0.578  1.0
  O  O18  1  0.500  0.127  0.922  1.0
  O  O19  1  0.500  0.873  0.078  1.0
  O  O20  1  0.000  0.121  0.140  1.0
  O  O21  1  0.000  0.879  0.860  1.0
  O  O22  1  0.000  0.379  0.640  1.0
  O  O23  1  0.000  0.621  0.360  1.0
  O  O24  1  0.000  0.345  0.040  1.0
  O  O25  1  0.000  0.655  0.960  1.0
  O  O26  1  0.000  0.155  0.540  1.0
  O  O27  1  0.000  0.845  0.460  1.0
  O  O28  1  0.000  0.341  0.240  1.0
  O  O29  1  0.000  0.659  0.760  1.0
  O  O30  1  0.000  0.159  0.740  1.0
  O  O31  1  0.000  0.841  0.260  1.0
  O  O32  1  0.500  0.116  0.357  1.0
  O  O33  1  0.500  0.884  0.643  1.0
  O  O34  1  0.500  0.384  0.857  1.0
  O  O35  1  0.500  0.616  0.143  1.0
[/CIF]
.