The material structure described by Na4Mg(NiO2)5 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted edge-sharing NiO6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(7) atom to form edge-sharing NiO6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted edge-sharing NiO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(4), one Mg(1), one Ni(1), one Ni(3), and one Ni(4) atom to form ONa2MgNi3 octahedra that share  an edgeedge with one O(8)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na3Ni3 octahedra, edges with two equivalent O(5)Na2MgNi3 octahedra, edges with two equivalent O(7)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid, and  a faceface with one O(3)Na2MgNi3 pentagonal pyramid. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Na(4), one Ni(2), one Ni(3), and one Ni(5) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(3)Na2MgNi3 pentagonal pyramid,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(5)Na2MgNi3 octahedra, edges with two equivalent O(8)Na2MgNi3 octahedra, edges with two equivalent O(7)Na3Ni3 octahedra, and  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Na(4), one Mg(1), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted ONa2MgNi3 pentagonal pyramids that share  a cornercorner with one O(2)Na3Ni3 octahedra, corners with two equivalent O(8)Na2MgNi3 octahedra, corners with three equivalent O(5)Na2MgNi3 octahedra, corners with three equivalent O(7)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na3Ni3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, and  a faceface with one O(1)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ni(1), one Ni(2), and one Ni(5) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(1), one Ni(2), and one Ni(4) atom to form ONa2MgNi3 octahedra that share corners with three equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(2)Na3Ni3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, and edges with two equivalent O(8)Na2MgNi3 octahedra. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Mg(1), one Ni(1), one Ni(3), and one Ni(4) atom. In the seventh O site, O(7) is bonded to one Na(2), one Na(3), one Na(4), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted ONa3Ni3 octahedra that share corners with three equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(5)Na2MgNi3 octahedra,  an edgeedge with one O(8)Na2MgNi3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, edges with two equivalent O(2)Na3Ni3 octahedra, and  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Mg(1), one Ni(1), one Ni(2), and one Ni(5) atom to form ONa2MgNi3 octahedra that share corners with two equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, edges with two equivalent O(5)Na2MgNi3 octahedra, and edges with two equivalent O(2)Na3Ni3 octahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Ni(2), one Ni(3), and one Ni(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Mg(1), one Ni(1), one Ni(2), and one Ni(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.508
_cell_length_c   8.228
_cell_angle_alpha   112.782
_cell_angle_beta   103.176
_cell_angle_gamma   98.394
_symmetry_Int_Tables_number   1
_cell_volume   203.644
_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  0.777  0.707  0.711  1.0
  Na  Na1  1  0.572  0.296  0.298  1.0
  Na  Na2  1  0.385  0.902  0.911  1.0
  Na  Na3  1  0.984  0.102  0.104  1.0
  Mg  Mg4  1  0.174  0.497  0.507  1.0
  Ni  Ni5  1  0.818  0.114  0.602  1.0
  Ni  Ni6  1  0.416  0.309  0.798  1.0
  Ni  Ni7  1  0.618  0.705  0.204  1.0
  Ni  Ni8  1  0.214  0.908  0.405  1.0
  Ni  Ni9  1  0.021  0.511  0.004  1.0
  O  O10  1  0.914  0.076  0.374  1.0
  O  O11  1  0.715  0.671  0.970  1.0
  O  O12  1  0.967  0.552  0.276  1.0
  O  O13  1  0.759  0.162  0.839  1.0
  O  O14  1  0.458  0.268  0.540  1.0
  O  O15  1  0.516  0.759  0.452  1.0
  O  O16  1  0.277  0.863  0.172  1.0
  O  O17  1  0.090  0.469  0.736  1.0
  O  O18  1  0.323  0.345  0.037  1.0
  O  O19  1  0.151  0.918  0.625  1.0
[/CIF]
.
The material structure described by Na4Mg(NiO2)5 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted edge-sharing NiO6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(7) atom to form edge-sharing NiO6 octahedra. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted edge-sharing NiO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(4), one Mg(1), one Ni(1), one Ni(3), and one Ni(4) atom to form ONa2MgNi3 octahedra that share  an edgeedge with one O(8)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na3Ni3 octahedra, edges with two equivalent O(5)Na2MgNi3 octahedra, edges with two equivalent O(7)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid, and  a faceface with one O(3)Na2MgNi3 pentagonal pyramid. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Na(4), one Ni(2), one Ni(3), and one Ni(5) atom to form ONa3Ni3 octahedra that share  a cornercorner with one O(3)Na2MgNi3 pentagonal pyramid,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(5)Na2MgNi3 octahedra, edges with two equivalent O(8)Na2MgNi3 octahedra, edges with two equivalent O(7)Na3Ni3 octahedra, and  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Na(4), one Mg(1), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted ONa2MgNi3 pentagonal pyramids that share  a cornercorner with one O(2)Na3Ni3 octahedra, corners with two equivalent O(8)Na2MgNi3 octahedra, corners with three equivalent O(5)Na2MgNi3 octahedra, corners with three equivalent O(7)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na3Ni3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, and  a faceface with one O(1)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ni(1), one Ni(2), and one Ni(5) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(1), one Ni(2), and one Ni(4) atom to form ONa2MgNi3 octahedra that share corners with three equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(2)Na3Ni3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, and edges with two equivalent O(8)Na2MgNi3 octahedra. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Mg(1), one Ni(1), one Ni(3), and one Ni(4) atom. In the seventh O site, O(7) is bonded to one Na(2), one Na(3), one Na(4), one Ni(3), one Ni(4), and one Ni(5) atom to form distorted ONa3Ni3 octahedra that share corners with three equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(5)Na2MgNi3 octahedra,  an edgeedge with one O(8)Na2MgNi3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, edges with two equivalent O(2)Na3Ni3 octahedra, and  an edgeedge with one O(3)Na2MgNi3 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Mg(1), one Ni(1), one Ni(2), and one Ni(5) atom to form ONa2MgNi3 octahedra that share corners with two equivalent O(3)Na2MgNi3 pentagonal pyramids,  an edgeedge with one O(1)Na2MgNi3 octahedra,  an edgeedge with one O(7)Na3Ni3 octahedra, edges with two equivalent O(5)Na2MgNi3 octahedra, and edges with two equivalent O(2)Na3Ni3 octahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Ni(2), one Ni(3), and one Ni(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Mg(1), one Ni(1), one Ni(2), and one Ni(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.508
_cell_length_c   8.228
_cell_angle_alpha   112.782
_cell_angle_beta   103.176
_cell_angle_gamma   98.394
_symmetry_Int_Tables_number   1
_cell_volume   203.644
_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  0.777  0.707  0.711  1.0
  Na  Na1  1  0.572  0.296  0.298  1.0
  Na  Na2  1  0.385  0.902  0.911  1.0
  Na  Na3  1  0.984  0.102  0.104  1.0
  Mg  Mg4  1  0.174  0.497  0.507  1.0
  Ni  Ni5  1  0.818  0.114  0.602  1.0
  Ni  Ni6  1  0.416  0.309  0.798  1.0
  Ni  Ni7  1  0.618  0.705  0.204  1.0
  Ni  Ni8  1  0.214  0.908  0.405  1.0
  Ni  Ni9  1  0.021  0.511  0.004  1.0
  O  O10  1  0.914  0.076  0.374  1.0
  O  O11  1  0.715  0.671  0.970  1.0
  O  O12  1  0.967  0.552  0.276  1.0
  O  O13  1  0.759  0.162  0.839  1.0
  O  O14  1  0.458  0.268  0.540  1.0
  O  O15  1  0.516  0.759  0.452  1.0
  O  O16  1  0.277  0.863  0.172  1.0
  O  O17  1  0.090  0.469  0.736  1.0
  O  O18  1  0.323  0.345  0.037  1.0
  O  O19  1  0.151  0.918  0.625  1.0
[/CIF]
.