The material described by Na6Mg(CoO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Mg(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(5), one Na(6), one Mg(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Na(6), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(4), one Na(6), one Mg(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted pentagonal pyramidal geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   6.276
_cell_length_c   6.265
_cell_angle_alpha   61.755
_cell_angle_beta   90.733
_cell_angle_gamma   88.869
_symmetry_Int_Tables_number   1
_cell_volume   204.848
_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  0.384  0.442  0.668  1.0
  Na  Na1  1  0.498  0.838  0.176  1.0
  Na  Na2  1  0.074  0.069  0.757  1.0
  Na  Na3  1  0.028  0.859  0.366  1.0
  Na  Na4  1  0.166  0.589  0.963  1.0
  Na  Na5  1  0.814  0.313  0.974  1.0
  Mg  Mg6  1  0.843  0.458  0.342  1.0
  Co  Co7  1  0.654  0.821  0.676  1.0
  Co  Co8  1  0.364  0.186  0.336  1.0
  O  O9  1  0.742  0.573  0.569  1.0
  O  O10  1  0.182  0.435  0.372  1.0
  O  O11  1  0.798  0.728  0.996  1.0
  O  O12  1  0.233  0.178  0.041  1.0
  O  O13  1  0.713  0.151  0.377  1.0
  O  O14  1  0.319  0.859  0.626  1.0
[/CIF]
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The material described by Na6Mg(CoO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Na(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Mg(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(5), one Na(6), one Mg(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Na(6), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(4), one Na(6), one Mg(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted pentagonal pyramidal geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   6.276
_cell_length_c   6.265
_cell_angle_alpha   61.755
_cell_angle_beta   90.733
_cell_angle_gamma   88.869
_symmetry_Int_Tables_number   1
_cell_volume   204.848
_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  0.384  0.442  0.668  1.0
  Na  Na1  1  0.498  0.838  0.176  1.0
  Na  Na2  1  0.074  0.069  0.757  1.0
  Na  Na3  1  0.028  0.859  0.366  1.0
  Na  Na4  1  0.166  0.589  0.963  1.0
  Na  Na5  1  0.814  0.313  0.974  1.0
  Mg  Mg6  1  0.843  0.458  0.342  1.0
  Co  Co7  1  0.654  0.821  0.676  1.0
  Co  Co8  1  0.364  0.186  0.336  1.0
  O  O9  1  0.742  0.573  0.569  1.0
  O  O10  1  0.182  0.435  0.372  1.0
  O  O11  1  0.798  0.728  0.996  1.0
  O  O12  1  0.233  0.178  0.041  1.0
  O  O13  1  0.713  0.151  0.377  1.0
  O  O14  1  0.319  0.859  0.626  1.0
[/CIF]
.