The material described by Na6Mg(NiO3)2 is Ilmenite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the third Na site, Na(3) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  an edgeedge with one Na(3)O4 trigonal pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Na(3)O4 trigonal pyramids and faces with two equivalent Na(3)O4 trigonal pyramids. Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Mg(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Mg(1), and one Ni(1) atom to form distorted ONa4MgNi pentagonal pyramids that share corners with three equivalent O(3)Na3MgNi2 octahedra,  a cornercorner with one O(2)Na4MgNi pentagonal pyramid,  an edgeedge with one O(3)Na3MgNi2 octahedra,  an edgeedge with one O(2)Na4MgNi pentagonal pyramid, and  a faceface with one O(3)Na3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and two equivalent Ni(1) atoms to form distorted ONa3MgNi2 octahedra that share  a cornercorner with one O(3)Na3MgNi2 octahedra, corners with three equivalent O(2)Na4MgNi pentagonal pyramids,  an edgeedge with one O(3)Na3MgNi2 octahedra,  an edgeedge with one O(2)Na4MgNi pentagonal pyramid, and  a faceface with one O(2)Na4MgNi pentagonal pyramid. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na6Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.634
_cell_length_c   6.409
_cell_angle_alpha   59.821
_cell_angle_beta   89.379
_cell_angle_gamma   89.006
_symmetry_Int_Tables_number   1
_cell_volume   226.517
_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  0.215  0.650  0.470  1.0
  Na  Na1  1  0.127  0.660  0.006  1.0
  Na  Na2  1  0.218  0.121  0.806  1.0
  Na  Na3  1  0.782  0.879  0.194  1.0
  Na  Na4  1  0.873  0.340  0.994  1.0
  Na  Na5  1  0.785  0.350  0.530  1.0
  Mg  Mg6  1  0.000  0.000  0.500  1.0
  Ni  Ni7  1  0.368  0.158  0.322  1.0
  Ni  Ni8  1  0.632  0.842  0.678  1.0
  O  O9  1  0.146  0.047  0.181  1.0
  O  O10  1  0.147  0.347  0.388  1.0
  O  O11  1  0.319  0.861  0.664  1.0
  O  O12  1  0.681  0.139  0.336  1.0
  O  O13  1  0.853  0.653  0.612  1.0
  O  O14  1  0.854  0.953  0.819  1.0
[/CIF]
.
The material described by Na6Mg(NiO3)2 is Ilmenite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the third Na site, Na(3) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  an edgeedge with one Na(3)O4 trigonal pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Na(3)O4 trigonal pyramids and faces with two equivalent Na(3)O4 trigonal pyramids. Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Mg(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Mg(1), and one Ni(1) atom to form distorted ONa4MgNi pentagonal pyramids that share corners with three equivalent O(3)Na3MgNi2 octahedra,  a cornercorner with one O(2)Na4MgNi pentagonal pyramid,  an edgeedge with one O(3)Na3MgNi2 octahedra,  an edgeedge with one O(2)Na4MgNi pentagonal pyramid, and  a faceface with one O(3)Na3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and two equivalent Ni(1) atoms to form distorted ONa3MgNi2 octahedra that share  a cornercorner with one O(3)Na3MgNi2 octahedra, corners with three equivalent O(2)Na4MgNi pentagonal pyramids,  an edgeedge with one O(3)Na3MgNi2 octahedra,  an edgeedge with one O(2)Na4MgNi pentagonal pyramid, and  a faceface with one O(2)Na4MgNi pentagonal pyramid. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na6Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.634
_cell_length_c   6.409
_cell_angle_alpha   59.821
_cell_angle_beta   89.379
_cell_angle_gamma   89.006
_symmetry_Int_Tables_number   1
_cell_volume   226.517
_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  0.215  0.650  0.470  1.0
  Na  Na1  1  0.127  0.660  0.006  1.0
  Na  Na2  1  0.218  0.121  0.806  1.0
  Na  Na3  1  0.782  0.879  0.194  1.0
  Na  Na4  1  0.873  0.340  0.994  1.0
  Na  Na5  1  0.785  0.350  0.530  1.0
  Mg  Mg6  1  0.000  0.000  0.500  1.0
  Ni  Ni7  1  0.368  0.158  0.322  1.0
  Ni  Ni8  1  0.632  0.842  0.678  1.0
  O  O9  1  0.146  0.047  0.181  1.0
  O  O10  1  0.147  0.347  0.388  1.0
  O  O11  1  0.319  0.861  0.664  1.0
  O  O12  1  0.681  0.139  0.336  1.0
  O  O13  1  0.853  0.653  0.612  1.0
  O  O14  1  0.854  0.953  0.819  1.0
[/CIF]
.