The material described by Na8Mg(NiO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted NaO5 square pyramids that share  a cornercorner with one Na(6)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Ni(2)O4 tetrahedra, and  an edgeedge with one Na(7)O4 trigonal pyramid. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. In the sixth Na site, Na(6) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, corners with three equivalent Na(7)O4 trigonal pyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the seventh Na site, Na(7) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with three equivalent Na(6)O4 tetrahedra, corners with three equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(1)O5 square pyramid, and  an edgeedge with one Ni(2)O4 tetrahedra. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(6)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with three equivalent Na(7)O4 trigonal pyramids,  an edgeedge with one Na(6)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form NiO4 tetrahedra that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Na(6)O4 tetrahedra,  a cornercorner with one Na(7)O4 trigonal pyramid, and corners with two equivalent Mg(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(6)O4 tetrahedra,  a cornercorner with one Na(7)O4 trigonal pyramid,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Na(7)O4 trigonal pyramid, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(8), and one Ni(2) atom to form edge-sharing ONa5Ni octahedra. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(7), one Na(8), and one Ni(2) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ni octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ni octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(3), one Na(4), one Na(5), one Na(6), one Mg(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(5), one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Na8Mg(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   5.593
_cell_length_c   5.906
_cell_angle_alpha   70.430
_cell_angle_beta   110.706
_cell_angle_gamma   99.763
_symmetry_Int_Tables_number   1
_cell_volume   263.816
_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  0.167  0.021  0.638  1.0
  Na  Na1  1  0.163  0.517  0.148  1.0
  Na  Na2  1  0.331  0.542  0.723  1.0
  Na  Na3  1  0.343  0.035  0.244  1.0
  Na  Na4  1  0.523  0.027  0.832  1.0
  Na  Na5  1  0.739  0.530  0.919  1.0
  Na  Na6  1  0.805  0.856  0.283  1.0
  Na  Na7  1  0.958  0.509  0.609  1.0
  Mg  Mg8  1  0.722  0.085  0.573  1.0
  Ni  Ni9  1  0.504  0.566  0.346  1.0
  Ni  Ni10  1  0.998  0.009  0.979  1.0
  O  O11  1  0.146  0.258  0.899  1.0
  O  O12  1  0.070  0.787  0.302  1.0
  O  O13  1  0.376  0.751  0.031  1.0
  O  O14  1  0.375  0.309  0.495  1.0
  O  O15  1  0.560  0.799  0.547  1.0
  O  O16  1  0.682  0.436  0.325  1.0
  O  O17  1  0.915  0.876  0.694  1.0
  O  O18  1  0.797  0.146  0.912  1.0
[/CIF]
.
The material described by Na8Mg(NiO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted NaO5 square pyramids that share  a cornercorner with one Na(6)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Ni(2)O4 tetrahedra, and  an edgeedge with one Na(7)O4 trigonal pyramid. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. In the sixth Na site, Na(6) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, corners with three equivalent Na(7)O4 trigonal pyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the seventh Na site, Na(7) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with three equivalent Na(6)O4 tetrahedra, corners with three equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(1)O5 square pyramid, and  an edgeedge with one Ni(2)O4 tetrahedra. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(6)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with three equivalent Na(7)O4 trigonal pyramids,  an edgeedge with one Na(6)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form NiO4 tetrahedra that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Na(6)O4 tetrahedra,  a cornercorner with one Na(7)O4 trigonal pyramid, and corners with two equivalent Mg(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(6)O4 tetrahedra,  a cornercorner with one Na(7)O4 trigonal pyramid,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Na(7)O4 trigonal pyramid, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(8), and one Ni(2) atom to form edge-sharing ONa5Ni octahedra. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(7), one Na(8), and one Ni(2) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ni octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ni octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(3), one Na(4), one Na(5), one Na(6), one Mg(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(5), one Na(6), one Na(7), one Na(8), one Mg(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Na8Mg(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   5.593
_cell_length_c   5.906
_cell_angle_alpha   70.430
_cell_angle_beta   110.706
_cell_angle_gamma   99.763
_symmetry_Int_Tables_number   1
_cell_volume   263.816
_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  0.167  0.021  0.638  1.0
  Na  Na1  1  0.163  0.517  0.148  1.0
  Na  Na2  1  0.331  0.542  0.723  1.0
  Na  Na3  1  0.343  0.035  0.244  1.0
  Na  Na4  1  0.523  0.027  0.832  1.0
  Na  Na5  1  0.739  0.530  0.919  1.0
  Na  Na6  1  0.805  0.856  0.283  1.0
  Na  Na7  1  0.958  0.509  0.609  1.0
  Mg  Mg8  1  0.722  0.085  0.573  1.0
  Ni  Ni9  1  0.504  0.566  0.346  1.0
  Ni  Ni10  1  0.998  0.009  0.979  1.0
  O  O11  1  0.146  0.258  0.899  1.0
  O  O12  1  0.070  0.787  0.302  1.0
  O  O13  1  0.376  0.751  0.031  1.0
  O  O14  1  0.375  0.309  0.495  1.0
  O  O15  1  0.560  0.799  0.547  1.0
  O  O16  1  0.682  0.436  0.325  1.0
  O  O17  1  0.915  0.876  0.694  1.0
  O  O18  1  0.797  0.146  0.912  1.0
[/CIF]
.