The compound described by Na3Ni7O12 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form NaO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second Na site, Na(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the third Na site, Na(3) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-20°. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)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 two equivalent Na(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(3)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(6)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifth Ni site, Ni(5) is bonded to one O(11), one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent 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(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), one Ni(3), and one Ni(7) atom to form ONa2Ni4 octahedra that share corners with two equivalent O(9)Na3Ni3 octahedra,  a cornercorner with one O(11)NaNi4 square pyramid, corners with two equivalent O(12)NaNi4 square pyramids,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid,  an edgeedge with one O(6)NaNi4 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(7)Na2Ni3 square pyramids, and edges with two equivalent O(10)NaNi4 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the second O site, O(2) is bonded to one Na(2), one Na(3), one Ni(3), one Ni(4), and one Ni(6) atom to form ONa2Ni3 square pyramids that share corners with two equivalent O(9)Na3Ni3 octahedra,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(7)Na2Ni3 square pyramids, corners with three equivalent O(10)NaNi4 square pyramids, edges with two equivalent O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid, and  an edgeedge with one O(12)NaNi4 square pyramid. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), one Ni(3), one Ni(5), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid, corners with three equivalent O(7)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(4), one Ni(5), and one Ni(7) atom. In the sixth O site, O(6) is bonded to one Na(3), one Ni(1), one Ni(4), one Ni(5), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(9)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and edges with two equivalent O(11)NaNi4 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(3), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(3)Na2Ni3 square pyramids, corners with three equivalent O(4)Na2Ni3 square pyramids, edges with two equivalent O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid, and  an edgeedge with one O(12)NaNi4 square pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Na(3), one Ni(2), one Ni(3), and one Ni(6) atom to form ONa3Ni3 octahedra that share corners with two equivalent O(1)Na2Ni4 octahedra,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(4)Na2Ni3 square pyramids, and edges with two equivalent O(7)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the tenth O site, O(10) is bonded to one Na(1), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with three equivalent O(3)Na2Ni3 square pyramids,  an edgeedge with one O(9)Na3Ni3 octahedra, edges with two equivalent O(1)Na2Ni4 octahedra,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. In the eleventh O site, O(11) is bonded to one Na(3), one Ni(4), one Ni(5), one Ni(6), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(1)Na2Ni4 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and edges with two equivalent O(6)NaNi4 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Na(2), one Ni(1), one Ni(2), one Ni(5), and one Ni(7) atom to form ONaNi4 square pyramids that share corners with two equivalent O(1)Na2Ni4 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. is represented by the CIF card [CIF]
data_Na3Ni7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.824
_cell_length_c   7.695
_cell_angle_alpha   99.580
_cell_angle_beta   84.204
_cell_angle_gamma   74.017
_symmetry_Int_Tables_number   1
_cell_volume   227.251
_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  0.495  0.421  0.165  1.0
  Na  Na1  1  0.501  0.917  0.171  1.0
  Na  Na2  1  0.504  0.728  0.517  1.0
  Ni  Ni3  1  0.012  0.997  0.994  1.0
  Ni  Ni4  1  0.998  0.503  0.996  1.0
  Ni  Ni5  1  0.999  0.331  0.338  1.0
  Ni  Ni6  1  0.993  0.168  0.670  1.0
  Ni  Ni7  1  0.004  0.666  0.669  1.0
  Ni  Ni8  1  0.991  0.838  0.333  1.0
  Ni  Ni9  1  0.498  0.095  0.823  1.0
  O  O10  1  0.222  0.198  0.063  1.0
  O  O11  1  0.180  0.054  0.434  1.0
  O  O12  1  0.204  0.735  0.081  1.0
  O  O13  1  0.183  0.575  0.427  1.0
  O  O14  1  0.200  0.365  0.751  1.0
  O  O15  1  0.208  0.914  0.763  1.0
  O  O16  1  0.817  0.099  0.225  1.0
  O  O17  1  0.803  0.431  0.587  1.0
  O  O18  1  0.806  0.610  0.248  1.0
  O  O19  1  0.794  0.255  0.902  1.0
  O  O20  1  0.786  0.961  0.603  1.0
  O  O21  1  0.803  0.804  0.906  1.0
[/CIF]
.
The compound described by Na3Ni7O12 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form NaO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second Na site, Na(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the third Na site, Na(3) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-20°. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)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 two equivalent Na(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(3)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(6)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifth Ni site, Ni(5) is bonded to one O(11), one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent 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(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), one Ni(3), and one Ni(7) atom to form ONa2Ni4 octahedra that share corners with two equivalent O(9)Na3Ni3 octahedra,  a cornercorner with one O(11)NaNi4 square pyramid, corners with two equivalent O(12)NaNi4 square pyramids,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid,  an edgeedge with one O(6)NaNi4 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(7)Na2Ni3 square pyramids, and edges with two equivalent O(10)NaNi4 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the second O site, O(2) is bonded to one Na(2), one Na(3), one Ni(3), one Ni(4), and one Ni(6) atom to form ONa2Ni3 square pyramids that share corners with two equivalent O(9)Na3Ni3 octahedra,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(7)Na2Ni3 square pyramids, corners with three equivalent O(10)NaNi4 square pyramids, edges with two equivalent O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid, and  an edgeedge with one O(12)NaNi4 square pyramid. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), one Ni(3), one Ni(5), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid, corners with three equivalent O(7)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(4), one Ni(5), and one Ni(7) atom. In the sixth O site, O(6) is bonded to one Na(3), one Ni(1), one Ni(4), one Ni(5), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(9)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and edges with two equivalent O(11)NaNi4 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(3), and one Ni(6) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(11)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(3)Na2Ni3 square pyramids, corners with three equivalent O(4)Na2Ni3 square pyramids, edges with two equivalent O(1)Na2Ni4 octahedra, edges with two equivalent O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid, and  an edgeedge with one O(12)NaNi4 square pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(3), one Ni(3), one Ni(4), and one Ni(5) atom. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Na(3), one Ni(2), one Ni(3), and one Ni(6) atom to form ONa3Ni3 octahedra that share corners with two equivalent O(1)Na2Ni4 octahedra,  a cornercorner with one O(6)NaNi4 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, edges with two equivalent O(4)Na2Ni3 square pyramids, and edges with two equivalent O(7)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 6-7°. In the tenth O site, O(10) is bonded to one Na(1), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(12)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid, corners with three equivalent O(3)Na2Ni3 square pyramids,  an edgeedge with one O(9)Na3Ni3 octahedra, edges with two equivalent O(1)Na2Ni4 octahedra,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. In the eleventh O site, O(11) is bonded to one Na(3), one Ni(4), one Ni(5), one Ni(6), and one Ni(7) atom to form ONaNi4 square pyramids that share  a cornercorner with one O(1)Na2Ni4 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(12)NaNi4 square pyramid, and edges with two equivalent O(6)NaNi4 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Na(2), one Ni(1), one Ni(2), one Ni(5), and one Ni(7) atom to form ONaNi4 square pyramids that share corners with two equivalent O(1)Na2Ni4 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(10)NaNi4 square pyramid,  a cornercorner with one O(6)NaNi4 square pyramid,  an edgeedge with one O(1)Na2Ni4 octahedra,  an edgeedge with one O(9)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(7)Na2Ni3 square pyramid,  an edgeedge with one O(10)NaNi4 square pyramid,  an edgeedge with one O(11)NaNi4 square pyramid, and  an edgeedge with one O(6)NaNi4 square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. is represented by the CIF card [CIF]
data_Na3Ni7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.824
_cell_length_c   7.695
_cell_angle_alpha   99.580
_cell_angle_beta   84.204
_cell_angle_gamma   74.017
_symmetry_Int_Tables_number   1
_cell_volume   227.251
_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  0.495  0.421  0.165  1.0
  Na  Na1  1  0.501  0.917  0.171  1.0
  Na  Na2  1  0.504  0.728  0.517  1.0
  Ni  Ni3  1  0.012  0.997  0.994  1.0
  Ni  Ni4  1  0.998  0.503  0.996  1.0
  Ni  Ni5  1  0.999  0.331  0.338  1.0
  Ni  Ni6  1  0.993  0.168  0.670  1.0
  Ni  Ni7  1  0.004  0.666  0.669  1.0
  Ni  Ni8  1  0.991  0.838  0.333  1.0
  Ni  Ni9  1  0.498  0.095  0.823  1.0
  O  O10  1  0.222  0.198  0.063  1.0
  O  O11  1  0.180  0.054  0.434  1.0
  O  O12  1  0.204  0.735  0.081  1.0
  O  O13  1  0.183  0.575  0.427  1.0
  O  O14  1  0.200  0.365  0.751  1.0
  O  O15  1  0.208  0.914  0.763  1.0
  O  O16  1  0.817  0.099  0.225  1.0
  O  O17  1  0.803  0.431  0.587  1.0
  O  O18  1  0.806  0.610  0.248  1.0
  O  O19  1  0.794  0.255  0.902  1.0
  O  O20  1  0.786  0.961  0.603  1.0
  O  O21  1  0.803  0.804  0.906  1.0
[/CIF]
.