The material described by NaNi5O6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Ni site, Ni(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh Ni site, Ni(7) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNi5O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.187
_cell_length_c   5.230
_cell_angle_alpha   100.238
_cell_angle_beta   100.236
_cell_angle_gamma   119.342
_symmetry_Int_Tables_number   1
_cell_volume   114.792
_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
  Na  Na0  1  0.833  0.167  0.500  1.0
  Ni  Ni1  1  0.998  0.002  1.000  1.0
  Ni  Ni2  1  0.668  0.332  1.000  1.0
  Ni  Ni3  1  0.502  0.498  0.500  1.0
  Ni  Ni4  1  0.332  0.668  1.000  1.0
  Ni  Ni5  1  0.165  0.835  0.500  1.0
  O  O6  1  0.088  0.423  0.228  1.0
  O  O7  1  0.577  0.912  0.772  1.0
  O  O8  1  0.283  0.256  0.760  1.0
  O  O9  1  0.385  0.077  0.240  1.0
  O  O10  1  0.923  0.615  0.760  1.0
  O  O11  1  0.744  0.717  0.240  1.0
[/CIF]
.
The material described by NaNi5O6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Ni site, Ni(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh Ni site, Ni(7) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  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(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Na(1), one Ni(1), one Ni(3), one Ni(4), one Ni(6), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Na(1), one Ni(2), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form a mixture of corner and edge-sharing ONaNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNi5O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.187
_cell_length_c   5.230
_cell_angle_alpha   100.238
_cell_angle_beta   100.236
_cell_angle_gamma   119.342
_symmetry_Int_Tables_number   1
_cell_volume   114.792
_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
  Na  Na0  1  0.833  0.167  0.500  1.0
  Ni  Ni1  1  0.998  0.002  1.000  1.0
  Ni  Ni2  1  0.668  0.332  1.000  1.0
  Ni  Ni3  1  0.502  0.498  0.500  1.0
  Ni  Ni4  1  0.332  0.668  1.000  1.0
  Ni  Ni5  1  0.165  0.835  0.500  1.0
  O  O6  1  0.088  0.423  0.228  1.0
  O  O7  1  0.577  0.912  0.772  1.0
  O  O8  1  0.283  0.256  0.760  1.0
  O  O9  1  0.385  0.077  0.240  1.0
  O  O10  1  0.923  0.615  0.760  1.0
  O  O11  1  0.744  0.717  0.240  1.0
[/CIF]
.