The material described by Na4Mg(NiO2)5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NaO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form ONa2MgNi3 octahedra that share  a cornercorner with one O(1)Na2MgNi3 octahedra,  a cornercorner with one O(4)Na2MgNi3 octahedra, corners with two equivalent O(2)Na2MgNi3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2MgNi3 octahedra, edges with two equivalent O(2)Na2MgNi3 octahedra, edges with three equivalent O(4)Na2MgNi3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, and edges with three equivalent O(5)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(3), and two equivalent Ni(2) atoms to form ONa2MgNi3 octahedra that share  a cornercorner with one O(3)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(1)Na2MgNi3 octahedra, corners with two equivalent O(2)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na2MgNi3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, and edges with four equivalent O(4)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted ONa3Ni3 octahedra that share  a cornercorner with one O(2)Na2MgNi3 octahedra,  a cornercorner with one O(3)Na3Ni3 octahedra, corners with two equivalent O(4)Na2MgNi3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(3)Na3Ni3 octahedra, edges with two equivalent O(4)Na2MgNi3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, edges with three equivalent O(2)Na2MgNi3 octahedra, and edges with three equivalent O(5)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Na(2), one Mg(1), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2MgNi3 octahedra that share  a cornercorner with one O(1)Na2MgNi3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(4)Na2MgNi3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2MgNi3 octahedra, edges with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, and edges with four equivalent O(2)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), one Ni(2), and two equivalent Ni(1) atoms to form ONa3Ni3 octahedra that share  a cornercorner with one O(2)Na2MgNi3 octahedra,  a cornercorner with one O(4)Na2MgNi3 octahedra, corners with two equivalent O(1)Na2MgNi3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(2)Na2MgNi3 octahedra, edges with two equivalent O(4)Na2MgNi3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, and edges with three equivalent O(3)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. is represented by the CIF card [CIF]
data_Na4Mg(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   6.113
_cell_length_c   6.973
_cell_angle_alpha   104.737
_cell_angle_beta   98.842
_cell_angle_gamma   105.972
_symmetry_Int_Tables_number   1
_cell_volume   199.938
_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  0.792  0.594  0.590  1.0
  Na  Na1  1  0.605  0.203  0.207  1.0
  Na  Na2  1  0.395  0.797  0.793  1.0
  Na  Na3  1  0.208  0.406  0.410  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.798  0.099  0.606  1.0
  Ni  Ni6  1  0.400  0.298  0.807  1.0
  Ni  Ni7  1  0.600  0.702  0.193  1.0
  Ni  Ni8  1  0.202  0.901  0.394  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  O  O10  1  0.923  0.026  0.303  1.0
  O  O11  1  0.723  0.634  0.918  1.0
  O  O12  1  0.929  0.582  0.270  1.0
  O  O13  1  0.733  0.184  0.909  1.0
  O  O14  1  0.495  0.208  0.519  1.0
  O  O15  1  0.505  0.792  0.481  1.0
  O  O16  1  0.267  0.816  0.091  1.0
  O  O17  1  0.071  0.418  0.730  1.0
  O  O18  1  0.277  0.366  0.082  1.0
  O  O19  1  0.077  0.974  0.697  1.0
[/CIF]
.
The material described by Na4Mg(NiO2)5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NaO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form ONa2MgNi3 octahedra that share  a cornercorner with one O(1)Na2MgNi3 octahedra,  a cornercorner with one O(4)Na2MgNi3 octahedra, corners with two equivalent O(2)Na2MgNi3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(1)Na2MgNi3 octahedra, edges with two equivalent O(2)Na2MgNi3 octahedra, edges with three equivalent O(4)Na2MgNi3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, and edges with three equivalent O(5)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Mg(1), one Ni(3), and two equivalent Ni(2) atoms to form ONa2MgNi3 octahedra that share  a cornercorner with one O(3)Na3Ni3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(1)Na2MgNi3 octahedra, corners with two equivalent O(2)Na2MgNi3 octahedra,  an edgeedge with one O(2)Na2MgNi3 octahedra, edges with two equivalent O(1)Na2MgNi3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(3)Na3Ni3 octahedra, and edges with four equivalent O(4)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted ONa3Ni3 octahedra that share  a cornercorner with one O(2)Na2MgNi3 octahedra,  a cornercorner with one O(3)Na3Ni3 octahedra, corners with two equivalent O(4)Na2MgNi3 octahedra, corners with two equivalent O(5)Na3Ni3 octahedra,  an edgeedge with one O(3)Na3Ni3 octahedra, edges with two equivalent O(4)Na2MgNi3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, edges with three equivalent O(2)Na2MgNi3 octahedra, and edges with three equivalent O(5)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Na(2), one Mg(1), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2MgNi3 octahedra that share  a cornercorner with one O(1)Na2MgNi3 octahedra,  a cornercorner with one O(5)Na3Ni3 octahedra, corners with two equivalent O(4)Na2MgNi3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2MgNi3 octahedra, edges with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, and edges with four equivalent O(2)Na2MgNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), one Ni(2), and two equivalent Ni(1) atoms to form ONa3Ni3 octahedra that share  a cornercorner with one O(2)Na2MgNi3 octahedra,  a cornercorner with one O(4)Na2MgNi3 octahedra, corners with two equivalent O(1)Na2MgNi3 octahedra, corners with two equivalent O(3)Na3Ni3 octahedra, edges with two equivalent O(2)Na2MgNi3 octahedra, edges with two equivalent O(4)Na2MgNi3 octahedra, edges with two equivalent O(5)Na3Ni3 octahedra, edges with three equivalent O(1)Na2MgNi3 octahedra, and edges with three equivalent O(3)Na3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. is represented by the CIF card [CIF]
data_Na4Mg(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   6.113
_cell_length_c   6.973
_cell_angle_alpha   104.737
_cell_angle_beta   98.842
_cell_angle_gamma   105.972
_symmetry_Int_Tables_number   1
_cell_volume   199.938
_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  0.792  0.594  0.590  1.0
  Na  Na1  1  0.605  0.203  0.207  1.0
  Na  Na2  1  0.395  0.797  0.793  1.0
  Na  Na3  1  0.208  0.406  0.410  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.798  0.099  0.606  1.0
  Ni  Ni6  1  0.400  0.298  0.807  1.0
  Ni  Ni7  1  0.600  0.702  0.193  1.0
  Ni  Ni8  1  0.202  0.901  0.394  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  O  O10  1  0.923  0.026  0.303  1.0
  O  O11  1  0.723  0.634  0.918  1.0
  O  O12  1  0.929  0.582  0.270  1.0
  O  O13  1  0.733  0.184  0.909  1.0
  O  O14  1  0.495  0.208  0.519  1.0
  O  O15  1  0.505  0.792  0.481  1.0
  O  O16  1  0.267  0.816  0.091  1.0
  O  O17  1  0.071  0.418  0.730  1.0
  O  O18  1  0.277  0.366  0.082  1.0
  O  O19  1  0.077  0.974  0.697  1.0
[/CIF]
.