The structure described by NaMgCoO2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent O(1) atoms. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. Co(1) is bonded in a 3-coordinate geometry to one Na(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Mg(1) atoms to form distorted ONa3Mg3 octahedra that share corners with three equivalent O(2)MgCo3 tetrahedra and edges with six equivalent O(1)Na3Mg3 octahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form OMgCo3 tetrahedra that share corners with three equivalent O(1)Na3Mg3 octahedra and corners with six equivalent O(2)MgCo3 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.302
_cell_length_b   3.300
_cell_length_c   7.594
_cell_angle_alpha   88.596
_cell_angle_beta   89.988
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   71.634
_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  0.988  0.977  0.523  1.0
  Mg  Mg1  1  0.667  0.334  0.216  1.0
  Co  Co2  1  0.009  0.018  0.901  1.0
  O  O3  1  0.329  0.659  0.322  1.0
  O  O4  1  0.673  0.346  0.955  1.0
[/CIF]
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The structure described by NaMgCoO2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent O(1) atoms. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. Co(1) is bonded in a 3-coordinate geometry to one Na(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Mg(1) atoms to form distorted ONa3Mg3 octahedra that share corners with three equivalent O(2)MgCo3 tetrahedra and edges with six equivalent O(1)Na3Mg3 octahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form OMgCo3 tetrahedra that share corners with three equivalent O(1)Na3Mg3 octahedra and corners with six equivalent O(2)MgCo3 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.302
_cell_length_b   3.300
_cell_length_c   7.594
_cell_angle_alpha   88.596
_cell_angle_beta   89.988
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   71.634
_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  0.988  0.977  0.523  1.0
  Mg  Mg1  1  0.667  0.334  0.216  1.0
  Co  Co2  1  0.009  0.018  0.901  1.0
  O  O3  1  0.329  0.659  0.322  1.0
  O  O4  1  0.673  0.346  0.955  1.0
[/CIF]
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