The structure described by Na4Mg(CoO3)2 crystallizes in the monoclinic C2/m space group. There are three 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(2) atoms. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate 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 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.455
_cell_length_b   6.455
_cell_length_c   5.915
_cell_angle_alpha   84.210
_cell_angle_beta   95.790
_cell_angle_gamma   123.631
_symmetry_Int_Tables_number   1
_cell_volume   203.853
_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  0.230  0.770  0.271  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.770  0.230  0.729  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.325  0.675  0.775  1.0
  Co  Co6  1  0.675  0.325  0.225  1.0
  O  O7  1  0.190  0.810  0.879  1.0
  O  O8  1  0.629  0.819  0.663  1.0
  O  O9  1  0.181  0.371  0.663  1.0
  O  O10  1  0.819  0.629  0.337  1.0
  O  O11  1  0.371  0.181  0.337  1.0
  O  O12  1  0.810  0.190  0.121  1.0
[/CIF]
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The structure described by Na4Mg(CoO3)2 crystallizes in the monoclinic C2/m space group. There are three 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(2) atoms. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate 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 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.455
_cell_length_b   6.455
_cell_length_c   5.915
_cell_angle_alpha   84.210
_cell_angle_beta   95.790
_cell_angle_gamma   123.631
_symmetry_Int_Tables_number   1
_cell_volume   203.853
_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  0.230  0.770  0.271  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.770  0.230  0.729  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.325  0.675  0.775  1.0
  Co  Co6  1  0.675  0.325  0.225  1.0
  O  O7  1  0.190  0.810  0.879  1.0
  O  O8  1  0.629  0.819  0.663  1.0
  O  O9  1  0.181  0.371  0.663  1.0
  O  O10  1  0.819  0.629  0.337  1.0
  O  O11  1  0.371  0.181  0.337  1.0
  O  O12  1  0.810  0.190  0.121  1.0
[/CIF]
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