The structure described by NiB2O4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with twelve equivalent B(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent B(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Ni(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.423
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   61.551
_cell_angle_beta   74.264
_cell_angle_gamma   74.264
_symmetry_Int_Tables_number   1
_cell_volume   106.835
_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
  B  B0  1  0.130  0.077  0.292  1.0
  B  B1  1  0.370  0.708  0.923  1.0
  B  B2  1  0.870  0.923  0.708  1.0
  B  B3  1  0.630  0.292  0.077  1.0
  Ni  Ni4  1  0.750  0.650  0.350  1.0
  Ni  Ni5  1  0.250  0.350  0.650  1.0
  O  O6  1  0.019  0.793  0.495  1.0
  O  O7  1  0.981  0.207  0.505  1.0
  O  O8  1  0.481  0.505  0.207  1.0
  O  O9  1  0.519  0.495  0.793  1.0
  O  O10  1  0.527  0.955  0.772  1.0
  O  O11  1  0.973  0.228  0.045  1.0
  O  O12  1  0.027  0.772  0.955  1.0
  O  O13  1  0.473  0.045  0.228  1.0
[/CIF]
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The structure described by NiB2O4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with twelve equivalent B(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent B(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Ni(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.423
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   61.551
_cell_angle_beta   74.264
_cell_angle_gamma   74.264
_symmetry_Int_Tables_number   1
_cell_volume   106.835
_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
  B  B0  1  0.130  0.077  0.292  1.0
  B  B1  1  0.370  0.708  0.923  1.0
  B  B2  1  0.870  0.923  0.708  1.0
  B  B3  1  0.630  0.292  0.077  1.0
  Ni  Ni4  1  0.750  0.650  0.350  1.0
  Ni  Ni5  1  0.250  0.350  0.650  1.0
  O  O6  1  0.019  0.793  0.495  1.0
  O  O7  1  0.981  0.207  0.505  1.0
  O  O8  1  0.481  0.505  0.207  1.0
  O  O9  1  0.519  0.495  0.793  1.0
  O  O10  1  0.527  0.955  0.772  1.0
  O  O11  1  0.973  0.228  0.045  1.0
  O  O12  1  0.027  0.772  0.955  1.0
  O  O13  1  0.473  0.045  0.228  1.0
[/CIF]
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