The structure described by Ni2NbBO6 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with eight equivalent Ni(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-60°. Ni(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-65°. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NbNi2BO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.539
_cell_length_b   8.732
_cell_length_c   10.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.987
_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
  Nb  Nb0  1  0.525  0.750  0.420  1.0
  Nb  Nb1  1  0.025  0.250  0.080  1.0
  Nb  Nb2  1  0.475  0.250  0.580  1.0
  Nb  Nb3  1  0.975  0.750  0.920  1.0
  Ni  Ni4  1  0.520  0.930  0.136  1.0
  Ni  Ni5  1  0.020  0.070  0.364  1.0
  Ni  Ni6  1  0.480  0.430  0.864  1.0
  Ni  Ni7  1  0.980  0.570  0.636  1.0
  Ni  Ni8  1  0.020  0.430  0.364  1.0
  Ni  Ni9  1  0.520  0.570  0.136  1.0
  Ni  Ni10  1  0.980  0.930  0.636  1.0
  Ni  Ni11  1  0.480  0.070  0.864  1.0
  B  B12  1  0.410  0.750  0.726  1.0
  B  B13  1  0.910  0.250  0.774  1.0
  B  B14  1  0.590  0.250  0.274  1.0
  B  B15  1  0.090  0.750  0.226  1.0
  O  O16  1  0.240  0.083  0.538  1.0
  O  O17  1  0.740  0.917  0.962  1.0
  O  O18  1  0.760  0.583  0.462  1.0
  O  O19  1  0.260  0.417  0.038  1.0
  O  O20  1  0.760  0.917  0.462  1.0
  O  O21  1  0.260  0.083  0.038  1.0
  O  O22  1  0.240  0.417  0.538  1.0
  O  O23  1  0.740  0.583  0.962  1.0
  O  O24  1  0.771  0.750  0.227  1.0
  O  O25  1  0.271  0.250  0.273  1.0
  O  O26  1  0.229  0.250  0.773  1.0
  O  O27  1  0.729  0.750  0.727  1.0
  O  O28  1  0.216  0.750  0.085  1.0
  O  O29  1  0.716  0.250  0.415  1.0
  O  O30  1  0.784  0.250  0.915  1.0
  O  O31  1  0.284  0.750  0.585  1.0
  O  O32  1  0.239  0.616  0.292  1.0
  O  O33  1  0.739  0.384  0.208  1.0
  O  O34  1  0.761  0.116  0.708  1.0
  O  O35  1  0.261  0.884  0.792  1.0
  O  O36  1  0.761  0.384  0.708  1.0
  O  O37  1  0.261  0.616  0.792  1.0
  O  O38  1  0.239  0.884  0.292  1.0
  O  O39  1  0.739  0.116  0.208  1.0
[/CIF]
.
The structure described by Ni2NbBO6 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with eight equivalent Ni(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-60°. Ni(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-65°. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Ni(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NbNi2BO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.539
_cell_length_b   8.732
_cell_length_c   10.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.987
_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
  Nb  Nb0  1  0.525  0.750  0.420  1.0
  Nb  Nb1  1  0.025  0.250  0.080  1.0
  Nb  Nb2  1  0.475  0.250  0.580  1.0
  Nb  Nb3  1  0.975  0.750  0.920  1.0
  Ni  Ni4  1  0.520  0.930  0.136  1.0
  Ni  Ni5  1  0.020  0.070  0.364  1.0
  Ni  Ni6  1  0.480  0.430  0.864  1.0
  Ni  Ni7  1  0.980  0.570  0.636  1.0
  Ni  Ni8  1  0.020  0.430  0.364  1.0
  Ni  Ni9  1  0.520  0.570  0.136  1.0
  Ni  Ni10  1  0.980  0.930  0.636  1.0
  Ni  Ni11  1  0.480  0.070  0.864  1.0
  B  B12  1  0.410  0.750  0.726  1.0
  B  B13  1  0.910  0.250  0.774  1.0
  B  B14  1  0.590  0.250  0.274  1.0
  B  B15  1  0.090  0.750  0.226  1.0
  O  O16  1  0.240  0.083  0.538  1.0
  O  O17  1  0.740  0.917  0.962  1.0
  O  O18  1  0.760  0.583  0.462  1.0
  O  O19  1  0.260  0.417  0.038  1.0
  O  O20  1  0.760  0.917  0.462  1.0
  O  O21  1  0.260  0.083  0.038  1.0
  O  O22  1  0.240  0.417  0.538  1.0
  O  O23  1  0.740  0.583  0.962  1.0
  O  O24  1  0.771  0.750  0.227  1.0
  O  O25  1  0.271  0.250  0.273  1.0
  O  O26  1  0.229  0.250  0.773  1.0
  O  O27  1  0.729  0.750  0.727  1.0
  O  O28  1  0.216  0.750  0.085  1.0
  O  O29  1  0.716  0.250  0.415  1.0
  O  O30  1  0.784  0.250  0.915  1.0
  O  O31  1  0.284  0.750  0.585  1.0
  O  O32  1  0.239  0.616  0.292  1.0
  O  O33  1  0.739  0.384  0.208  1.0
  O  O34  1  0.761  0.116  0.708  1.0
  O  O35  1  0.261  0.884  0.792  1.0
  O  O36  1  0.761  0.384  0.708  1.0
  O  O37  1  0.261  0.616  0.792  1.0
  O  O38  1  0.239  0.884  0.292  1.0
  O  O39  1  0.739  0.116  0.208  1.0
[/CIF]
.