The compound 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 in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(3) and three equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), 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(3), three equivalent Na(2), 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(2), two equivalent Na(3), one Mg(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.890
_cell_length_b   7.592
_cell_length_c   4.405
_cell_angle_alpha   90.835
_cell_angle_beta   89.053
_cell_angle_gamma   64.814
_symmetry_Int_Tables_number   1
_cell_volume   238.706
_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  0.156  0.746  0.226  1.0
  Na  Na1  1  0.429  0.885  0.720  1.0
  Na  Na2  1  0.652  0.618  0.196  1.0
  Na  Na3  1  0.344  0.380  0.811  1.0
  Na  Na4  1  0.567  0.112  0.288  1.0
  Na  Na5  1  0.840  0.251  0.782  1.0
  Mg  Mg6  1  0.998  0.499  0.504  1.0
  Co  Co7  1  0.178  0.144  0.242  1.0
  Co  Co8  1  0.818  0.854  0.766  1.0
  O  O9  1  0.072  0.693  0.726  1.0
  O  O10  1  0.355  0.896  0.218  1.0
  O  O11  1  0.258  0.352  0.315  1.0
  O  O12  1  0.738  0.646  0.692  1.0
  O  O13  1  0.924  0.304  0.282  1.0
  O  O14  1  0.641  0.101  0.789  1.0
[/CIF]
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The compound 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 in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(3) and three equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), 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(3), three equivalent Na(2), 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(2), two equivalent Na(3), one Mg(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.890
_cell_length_b   7.592
_cell_length_c   4.405
_cell_angle_alpha   90.835
_cell_angle_beta   89.053
_cell_angle_gamma   64.814
_symmetry_Int_Tables_number   1
_cell_volume   238.706
_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  0.156  0.746  0.226  1.0
  Na  Na1  1  0.429  0.885  0.720  1.0
  Na  Na2  1  0.652  0.618  0.196  1.0
  Na  Na3  1  0.344  0.380  0.811  1.0
  Na  Na4  1  0.567  0.112  0.288  1.0
  Na  Na5  1  0.840  0.251  0.782  1.0
  Mg  Mg6  1  0.998  0.499  0.504  1.0
  Co  Co7  1  0.178  0.144  0.242  1.0
  Co  Co8  1  0.818  0.854  0.766  1.0
  O  O9  1  0.072  0.693  0.726  1.0
  O  O10  1  0.355  0.896  0.218  1.0
  O  O11  1  0.258  0.352  0.315  1.0
  O  O12  1  0.738  0.646  0.692  1.0
  O  O13  1  0.924  0.304  0.282  1.0
  O  O14  1  0.641  0.101  0.789  1.0
[/CIF]
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