The structure described by NaMgNiO6I crystallizes in the triclinic P1 space group. Na(1) 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. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share edges with three equivalent I(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Ni(1), and one I(1) atom. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra. is represented by the CIF card [CIF]
data_NaMgNiIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.501
_cell_length_c   5.486
_cell_angle_alpha   72.094
_cell_angle_beta   88.666
_cell_angle_gamma   122.002
_symmetry_Int_Tables_number   1
_cell_volume   124.935
_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  0.124  0.154  0.083  1.0
  Mg  Mg1  1  0.895  0.563  0.938  1.0
  Ni  Ni2  1  0.354  0.676  0.468  1.0
  I  I3  1  0.658  0.320  0.503  1.0
  O  O4  1  0.925  0.295  0.723  1.0
  O  O5  1  0.707  0.139  0.272  1.0
  O  O6  1  0.033  0.688  0.261  1.0
  O  O7  1  0.456  0.456  0.276  1.0
  O  O8  1  0.584  0.509  0.713  1.0
  O  O9  1  0.314  0.914  0.700  1.0
[/CIF]
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The structure described by NaMgNiO6I crystallizes in the triclinic P1 space group. Na(1) 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. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share edges with three equivalent I(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(1), one Mg(1), one Ni(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Ni(1), and one I(1) atom. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra. is represented by the CIF card [CIF]
data_NaMgNiIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.501
_cell_length_c   5.486
_cell_angle_alpha   72.094
_cell_angle_beta   88.666
_cell_angle_gamma   122.002
_symmetry_Int_Tables_number   1
_cell_volume   124.935
_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  0.124  0.154  0.083  1.0
  Mg  Mg1  1  0.895  0.563  0.938  1.0
  Ni  Ni2  1  0.354  0.676  0.468  1.0
  I  I3  1  0.658  0.320  0.503  1.0
  O  O4  1  0.925  0.295  0.723  1.0
  O  O5  1  0.707  0.139  0.272  1.0
  O  O6  1  0.033  0.688  0.261  1.0
  O  O7  1  0.456  0.456  0.276  1.0
  O  O8  1  0.584  0.509  0.713  1.0
  O  O9  1  0.314  0.914  0.700  1.0
[/CIF]
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