The material structure described by Na4Mg(CoO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 3-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), one O(4), and one O(5) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one 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(2), one O(3), and one O(6) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one Co(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O5 trigonal bipyramids 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 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), one Co(1), and one Co(2) 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. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   5.995
_cell_length_c   6.110
_cell_angle_alpha   92.031
_cell_angle_beta   115.630
_cell_angle_gamma   58.123
_symmetry_Int_Tables_number   1
_cell_volume   171.574
_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  0.123  0.165  0.477  1.0
  Na  Na1  1  0.851  0.880  0.464  1.0
  Na  Na2  1  0.348  0.475  0.365  1.0
  Na  Na3  1  0.012  0.118  0.961  1.0
  Mg  Mg4  1  0.689  0.727  0.772  1.0
  Co  Co5  1  0.590  0.641  0.161  1.0
  Co  Co6  1  0.401  0.353  0.861  1.0
  O  O7  1  0.363  0.707  0.790  1.0
  O  O8  1  0.893  0.600  0.164  1.0
  O  O9  1  0.431  0.820  0.350  1.0
  O  O10  1  0.049  0.438  0.767  1.0
  O  O11  1  0.601  0.107  0.721  1.0
  O  O12  1  0.662  0.282  0.207  1.0
[/CIF]
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The material structure described by Na4Mg(CoO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 3-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), one O(4), and one O(5) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one 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(2), one O(3), and one O(6) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one Co(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O5 trigonal bipyramids 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 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), one Co(1), and one Co(2) 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. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_Na4Mg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   5.995
_cell_length_c   6.110
_cell_angle_alpha   92.031
_cell_angle_beta   115.630
_cell_angle_gamma   58.123
_symmetry_Int_Tables_number   1
_cell_volume   171.574
_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  0.123  0.165  0.477  1.0
  Na  Na1  1  0.851  0.880  0.464  1.0
  Na  Na2  1  0.348  0.475  0.365  1.0
  Na  Na3  1  0.012  0.118  0.961  1.0
  Mg  Mg4  1  0.689  0.727  0.772  1.0
  Co  Co5  1  0.590  0.641  0.161  1.0
  Co  Co6  1  0.401  0.353  0.861  1.0
  O  O7  1  0.363  0.707  0.790  1.0
  O  O8  1  0.893  0.600  0.164  1.0
  O  O9  1  0.431  0.820  0.350  1.0
  O  O10  1  0.049  0.438  0.767  1.0
  O  O11  1  0.601  0.107  0.721  1.0
  O  O12  1  0.662  0.282  0.207  1.0
[/CIF]
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