The material structure described by Na6Mg(CoO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CoO4 tetrahedra that share corners with three equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.270
_cell_length_c   5.865
_cell_angle_alpha   65.668
_cell_angle_beta   95.684
_cell_angle_gamma   89.289
_symmetry_Int_Tables_number   1
_cell_volume   200.057
_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  0.374  0.475  0.693  1.0
  Na  Na1  1  0.626  0.525  0.307  1.0
  Na  Na2  1  0.001  0.213  0.606  1.0
  Na  Na3  1  0.999  0.787  0.394  1.0
  Na  Na4  1  0.259  0.866  0.003  1.0
  Na  Na5  1  0.741  0.134  0.997  1.0
  Mg  Mg6  1  1.000  0.500  0.000  1.0
  Co  Co7  1  0.649  0.834  0.683  1.0
  Co  Co8  1  0.351  0.166  0.317  1.0
  O  O9  1  0.769  0.524  0.699  1.0
  O  O10  1  0.231  0.476  0.301  1.0
  O  O11  1  0.831  0.783  0.003  1.0
  O  O12  1  0.169  0.217  0.997  1.0
  O  O13  1  0.693  0.131  0.379  1.0
  O  O14  1  0.307  0.869  0.621  1.0
[/CIF]
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The material structure described by Na6Mg(CoO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CoO4 tetrahedra that share corners with three equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.270
_cell_length_c   5.865
_cell_angle_alpha   65.668
_cell_angle_beta   95.684
_cell_angle_gamma   89.289
_symmetry_Int_Tables_number   1
_cell_volume   200.057
_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  0.374  0.475  0.693  1.0
  Na  Na1  1  0.626  0.525  0.307  1.0
  Na  Na2  1  0.001  0.213  0.606  1.0
  Na  Na3  1  0.999  0.787  0.394  1.0
  Na  Na4  1  0.259  0.866  0.003  1.0
  Na  Na5  1  0.741  0.134  0.997  1.0
  Mg  Mg6  1  1.000  0.500  0.000  1.0
  Co  Co7  1  0.649  0.834  0.683  1.0
  Co  Co8  1  0.351  0.166  0.317  1.0
  O  O9  1  0.769  0.524  0.699  1.0
  O  O10  1  0.231  0.476  0.301  1.0
  O  O11  1  0.831  0.783  0.003  1.0
  O  O12  1  0.169  0.217  0.997  1.0
  O  O13  1  0.693  0.131  0.379  1.0
  O  O14  1  0.307  0.869  0.621  1.0
[/CIF]
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