The compound described by Na4Mg(CoO3)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(4), one Mg(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.617
_cell_length_c   5.881
_cell_angle_alpha   77.175
_cell_angle_beta   102.825
_cell_angle_gamma   124.268
_symmetry_Int_Tables_number   1
_cell_volume   205.975
_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  0.390  0.610  0.249  1.0
  Na  Na1  1  0.043  0.957  0.566  1.0
  Na  Na2  1  0.092  0.908  0.097  1.0
  Na  Na3  1  0.562  0.438  0.675  1.0
  Mg  Mg4  1  0.819  0.181  0.771  1.0
  Co  Co5  1  0.332  0.668  0.744  1.0
  Co  Co6  1  0.646  0.354  0.222  1.0
  O  O7  1  0.223  0.777  0.891  1.0
  O  O8  1  0.653  0.845  0.694  1.0
  O  O9  1  0.155  0.347  0.694  1.0
  O  O10  1  0.811  0.637  0.342  1.0
  O  O11  1  0.363  0.189  0.342  1.0
  O  O12  1  0.723  0.277  0.994  1.0
[/CIF]
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The compound described by Na4Mg(CoO3)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Co(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(4), one Mg(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.617
_cell_length_c   5.881
_cell_angle_alpha   77.175
_cell_angle_beta   102.825
_cell_angle_gamma   124.268
_symmetry_Int_Tables_number   1
_cell_volume   205.975
_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  0.390  0.610  0.249  1.0
  Na  Na1  1  0.043  0.957  0.566  1.0
  Na  Na2  1  0.092  0.908  0.097  1.0
  Na  Na3  1  0.562  0.438  0.675  1.0
  Mg  Mg4  1  0.819  0.181  0.771  1.0
  Co  Co5  1  0.332  0.668  0.744  1.0
  Co  Co6  1  0.646  0.354  0.222  1.0
  O  O7  1  0.223  0.777  0.891  1.0
  O  O8  1  0.653  0.845  0.694  1.0
  O  O9  1  0.155  0.347  0.694  1.0
  O  O10  1  0.811  0.637  0.342  1.0
  O  O11  1  0.363  0.189  0.342  1.0
  O  O12  1  0.723  0.277  0.994  1.0
[/CIF]
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