The structure described by Ni15O16 crystallizes in the cubic Im-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(3)Ni6 octahedra, corners with four equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)Ni6 octahedra, and edges with four equivalent O(1)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form ONi5 square pyramids that share corners with four equivalent O(3)Ni6 octahedra, corners with five equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Ni6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra, edges with six equivalent O(3)Ni6 octahedra, and edges with six equivalent O(1)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni15O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.277
_cell_length_c   7.277
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   296.618
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.246  0.754  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.492  0.246  0.246  1.0
  Ni  Ni3  1  0.754  0.000  0.246  1.0
  Ni  Ni4  1  0.000  0.754  0.246  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.246  0.492  0.246  1.0
  Ni  Ni7  1  0.246  0.246  0.492  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Ni  Ni9  1  0.508  0.754  0.754  1.0
  Ni  Ni10  1  0.754  0.754  0.508  1.0
  Ni  Ni11  1  0.754  0.508  0.754  1.0
  Ni  Ni12  1  0.000  0.246  0.754  1.0
  Ni  Ni13  1  0.246  0.000  0.754  1.0
  Ni  Ni14  1  0.754  0.246  0.000  1.0
  O  O15  1  0.731  0.731  0.000  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.000  0.269  0.269  1.0
  O  O18  1  0.269  0.269  0.000  1.0
  O  O19  1  0.269  0.000  0.269  1.0
  O  O20  1  0.500  0.750  0.250  1.0
  O  O21  1  0.500  0.500  0.500  1.0
  O  O22  1  0.750  0.500  0.250  1.0
  O  O23  1  0.750  0.250  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.731  0.731  1.0
  O  O26  1  0.250  0.750  0.500  1.0
  O  O27  1  0.250  0.500  0.750  1.0
  O  O28  1  0.500  0.250  0.750  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.731  0.000  0.731  1.0
[/CIF]
.
The structure described by Ni15O16 crystallizes in the cubic Im-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(3)Ni6 octahedra, corners with four equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)Ni6 octahedra, and edges with four equivalent O(1)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form ONi5 square pyramids that share corners with four equivalent O(3)Ni6 octahedra, corners with five equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Ni6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra, edges with six equivalent O(3)Ni6 octahedra, and edges with six equivalent O(1)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni15O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.277
_cell_length_c   7.277
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   296.618
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.246  0.754  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.492  0.246  0.246  1.0
  Ni  Ni3  1  0.754  0.000  0.246  1.0
  Ni  Ni4  1  0.000  0.754  0.246  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.246  0.492  0.246  1.0
  Ni  Ni7  1  0.246  0.246  0.492  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Ni  Ni9  1  0.508  0.754  0.754  1.0
  Ni  Ni10  1  0.754  0.754  0.508  1.0
  Ni  Ni11  1  0.754  0.508  0.754  1.0
  Ni  Ni12  1  0.000  0.246  0.754  1.0
  Ni  Ni13  1  0.246  0.000  0.754  1.0
  Ni  Ni14  1  0.754  0.246  0.000  1.0
  O  O15  1  0.731  0.731  0.000  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.000  0.269  0.269  1.0
  O  O18  1  0.269  0.269  0.000  1.0
  O  O19  1  0.269  0.000  0.269  1.0
  O  O20  1  0.500  0.750  0.250  1.0
  O  O21  1  0.500  0.500  0.500  1.0
  O  O22  1  0.750  0.500  0.250  1.0
  O  O23  1  0.750  0.250  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.731  0.731  1.0
  O  O26  1  0.250  0.750  0.500  1.0
  O  O27  1  0.250  0.500  0.750  1.0
  O  O28  1  0.500  0.250  0.750  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.731  0.000  0.731  1.0
[/CIF]
.