The material described by Na4Mg(FeO3)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 5-coordinate geometry to one O(1), 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), and one O(4) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(2)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(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(3), one Na(4), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Na(4), one Mg(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3MgFe trigonal bipyramids. 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 Mg(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(4), one Mg(1), and one Fe(2) atom to form a mixture of corner and edge-sharing ONa3MgFe trigonal bipyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.586
_cell_length_c   6.187
_cell_angle_alpha   88.003
_cell_angle_beta   100.534
_cell_angle_gamma   59.943
_symmetry_Int_Tables_number   1
_cell_volume   168.236
_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  0.410  0.614  0.487  1.0
  Na  Na1  1  0.330  0.203  0.535  1.0
  Na  Na2  1  0.770  0.656  0.833  1.0
  Na  Na3  1  0.444  0.313  0.030  1.0
  Mg  Mg4  1  0.816  0.656  0.293  1.0
  Fe  Fe5  1  0.947  0.037  0.592  1.0
  Fe  Fe6  1  0.095  0.999  0.060  1.0
  O  O7  1  0.282  0.949  0.792  1.0
  O  O8  1  0.068  0.682  0.127  1.0
  O  O9  1  0.998  0.677  0.581  1.0
  O  O10  1  0.730  0.239  0.792  1.0
  O  O11  1  0.426  0.939  0.252  1.0
  O  O12  1  0.862  0.265  0.306  1.0
[/CIF]
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The material described by Na4Mg(FeO3)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 5-coordinate geometry to one O(1), 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), and one O(4) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(2)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(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(3), one Na(4), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Na(4), one Mg(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3MgFe trigonal bipyramids. 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 Mg(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(4), one Mg(1), and one Fe(2) atom to form a mixture of corner and edge-sharing ONa3MgFe trigonal bipyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.586
_cell_length_c   6.187
_cell_angle_alpha   88.003
_cell_angle_beta   100.534
_cell_angle_gamma   59.943
_symmetry_Int_Tables_number   1
_cell_volume   168.236
_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  0.410  0.614  0.487  1.0
  Na  Na1  1  0.330  0.203  0.535  1.0
  Na  Na2  1  0.770  0.656  0.833  1.0
  Na  Na3  1  0.444  0.313  0.030  1.0
  Mg  Mg4  1  0.816  0.656  0.293  1.0
  Fe  Fe5  1  0.947  0.037  0.592  1.0
  Fe  Fe6  1  0.095  0.999  0.060  1.0
  O  O7  1  0.282  0.949  0.792  1.0
  O  O8  1  0.068  0.682  0.127  1.0
  O  O9  1  0.998  0.677  0.581  1.0
  O  O10  1  0.730  0.239  0.792  1.0
  O  O11  1  0.426  0.939  0.252  1.0
  O  O12  1  0.862  0.265  0.306  1.0
[/CIF]
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