The material described by NaMg(CoO2)3 crystallizes in the triclinic P1 space group. Na(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 distorted NaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(3)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. Mg(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 distorted MgO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra,  a faceface with one Na(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the second Co site, Co(2) 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 distorted CoO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the third Co site, Co(3) 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 distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Na(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaMg(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.859
_cell_length_b   5.077
_cell_length_c   5.898
_cell_angle_alpha   64.813
_cell_angle_beta   60.396
_cell_angle_gamma   29.660
_symmetry_Int_Tables_number   1
_cell_volume   114.147
_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  0.216  0.902  0.482  1.0
  Mg  Mg1  1  0.870  0.910  0.508  1.0
  Co  Co2  1  0.044  0.912  0.986  1.0
  Co  Co3  1  0.398  0.899  0.946  1.0
  Co  Co4  1  0.689  0.907  0.056  1.0
  O  O5  1  0.087  0.278  0.787  1.0
  O  O6  1  0.272  0.614  0.204  1.0
  O  O7  1  0.460  0.241  0.784  1.0
  O  O8  1  0.665  0.512  0.215  1.0
  O  O9  1  0.787  0.225  0.784  1.0
  O  O10  1  0.994  0.570  0.195  1.0
[/CIF]
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The material described by NaMg(CoO2)3 crystallizes in the triclinic P1 space group. Na(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 distorted NaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(3)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. Mg(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 distorted MgO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra,  a faceface with one Na(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the second Co site, Co(2) 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 distorted CoO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the third Co site, Co(3) 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 distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Na(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Na(1), one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONaMgCo3 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaMg(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.859
_cell_length_b   5.077
_cell_length_c   5.898
_cell_angle_alpha   64.813
_cell_angle_beta   60.396
_cell_angle_gamma   29.660
_symmetry_Int_Tables_number   1
_cell_volume   114.147
_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  0.216  0.902  0.482  1.0
  Mg  Mg1  1  0.870  0.910  0.508  1.0
  Co  Co2  1  0.044  0.912  0.986  1.0
  Co  Co3  1  0.398  0.899  0.946  1.0
  Co  Co4  1  0.689  0.907  0.056  1.0
  O  O5  1  0.087  0.278  0.787  1.0
  O  O6  1  0.272  0.614  0.204  1.0
  O  O7  1  0.460  0.241  0.784  1.0
  O  O8  1  0.665  0.512  0.215  1.0
  O  O9  1  0.787  0.225  0.784  1.0
  O  O10  1  0.994  0.570  0.195  1.0
[/CIF]
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