The compound described by Na3Fe5O9 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(4), and three equivalent O(3) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2) and three equivalent O(5) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Fe(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O4 tetrahedra, and edges with two equivalent Na(2)O5 trigonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-64°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with six equivalent Fe(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Fe(1), one Fe(2), and one Fe(3) atom to form ONaFe3 trigonal pyramids that share corners with three equivalent O(2)Na2Fe2 tetrahedra,  a cornercorner with one O(5)Na3Fe2 trigonal bipyramid, and  a cornercorner with one O(1)NaFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Fe(1), and one Fe(2) atom to form distorted ONa2Fe2 tetrahedra that share  a cornercorner with one O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na3Fe2 trigonal bipyramids, corners with three equivalent O(1)NaFe3 trigonal pyramids, and  an edgeedge with one O(5)Na3Fe2 trigonal bipyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(2), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to three equivalent Na(2) and two equivalent Fe(1) atoms to form ONa3Fe2 trigonal bipyramids that share corners with four equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na3Fe2 trigonal bipyramids, corners with two equivalent O(1)NaFe3 trigonal pyramids, edges with two equivalent O(2)Na2Fe2 tetrahedra, and edges with two equivalent O(5)Na3Fe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3Fe5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   8.998
_cell_length_c   5.252
_cell_angle_alpha   89.380
_cell_angle_beta   89.380
_cell_angle_gamma   83.804
_symmetry_Int_Tables_number   1
_cell_volume   422.666
_cell_formula_units_Z   2
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  0.684  0.841  0.273  1.0
  Na  Na1  1  0.159  0.316  0.227  1.0
  Na  Na2  1  0.316  0.159  0.727  1.0
  Na  Na3  1  0.841  0.684  0.773  1.0
  Na  Na4  1  0.406  0.594  0.250  1.0
  Na  Na5  1  0.594  0.406  0.750  1.0
  Fe  Fe6  1  0.564  0.204  0.282  1.0
  Fe  Fe7  1  0.796  0.436  0.218  1.0
  Fe  Fe8  1  0.436  0.796  0.718  1.0
  Fe  Fe9  1  0.204  0.564  0.782  1.0
  Fe  Fe10  1  0.302  0.980  0.216  1.0
  Fe  Fe11  1  0.020  0.698  0.284  1.0
  Fe  Fe12  1  0.698  0.020  0.784  1.0
  Fe  Fe13  1  0.980  0.302  0.716  1.0
  Fe  Fe14  1  0.938  0.062  0.250  1.0
  Fe  Fe15  1  0.062  0.938  0.750  1.0
  O  O16  1  0.724  0.087  0.115  1.0
  O  O17  1  0.913  0.276  0.385  1.0
  O  O18  1  0.276  0.913  0.885  1.0
  O  O19  1  0.087  0.724  0.615  1.0
  O  O20  1  0.433  0.838  0.374  1.0
  O  O21  1  0.162  0.567  0.126  1.0
  O  O22  1  0.567  0.162  0.626  1.0
  O  O23  1  0.838  0.433  0.874  1.0
  O  O24  1  0.380  0.162  0.171  1.0
  O  O25  1  0.838  0.620  0.329  1.0
  O  O26  1  0.620  0.838  0.829  1.0
  O  O27  1  0.162  0.380  0.671  1.0
  O  O28  1  0.136  0.029  0.425  1.0
  O  O29  1  0.971  0.864  0.075  1.0
  O  O30  1  0.864  0.971  0.575  1.0
  O  O31  1  0.029  0.136  0.925  1.0
  O  O32  1  0.593  0.407  0.250  1.0
  O  O33  1  0.407  0.593  0.750  1.0
[/CIF]
.
The compound described by Na3Fe5O9 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(4), and three equivalent O(3) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2) and three equivalent O(5) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Fe(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O4 tetrahedra, and edges with two equivalent Na(2)O5 trigonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-64°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with six equivalent Fe(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Fe(1), one Fe(2), and one Fe(3) atom to form ONaFe3 trigonal pyramids that share corners with three equivalent O(2)Na2Fe2 tetrahedra,  a cornercorner with one O(5)Na3Fe2 trigonal bipyramid, and  a cornercorner with one O(1)NaFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Fe(1), and one Fe(2) atom to form distorted ONa2Fe2 tetrahedra that share  a cornercorner with one O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na3Fe2 trigonal bipyramids, corners with three equivalent O(1)NaFe3 trigonal pyramids, and  an edgeedge with one O(5)Na3Fe2 trigonal bipyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(2), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to three equivalent Na(2) and two equivalent Fe(1) atoms to form ONa3Fe2 trigonal bipyramids that share corners with four equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na3Fe2 trigonal bipyramids, corners with two equivalent O(1)NaFe3 trigonal pyramids, edges with two equivalent O(2)Na2Fe2 tetrahedra, and edges with two equivalent O(5)Na3Fe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3Fe5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   8.998
_cell_length_c   5.252
_cell_angle_alpha   89.380
_cell_angle_beta   89.380
_cell_angle_gamma   83.804
_symmetry_Int_Tables_number   1
_cell_volume   422.666
_cell_formula_units_Z   2
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  0.684  0.841  0.273  1.0
  Na  Na1  1  0.159  0.316  0.227  1.0
  Na  Na2  1  0.316  0.159  0.727  1.0
  Na  Na3  1  0.841  0.684  0.773  1.0
  Na  Na4  1  0.406  0.594  0.250  1.0
  Na  Na5  1  0.594  0.406  0.750  1.0
  Fe  Fe6  1  0.564  0.204  0.282  1.0
  Fe  Fe7  1  0.796  0.436  0.218  1.0
  Fe  Fe8  1  0.436  0.796  0.718  1.0
  Fe  Fe9  1  0.204  0.564  0.782  1.0
  Fe  Fe10  1  0.302  0.980  0.216  1.0
  Fe  Fe11  1  0.020  0.698  0.284  1.0
  Fe  Fe12  1  0.698  0.020  0.784  1.0
  Fe  Fe13  1  0.980  0.302  0.716  1.0
  Fe  Fe14  1  0.938  0.062  0.250  1.0
  Fe  Fe15  1  0.062  0.938  0.750  1.0
  O  O16  1  0.724  0.087  0.115  1.0
  O  O17  1  0.913  0.276  0.385  1.0
  O  O18  1  0.276  0.913  0.885  1.0
  O  O19  1  0.087  0.724  0.615  1.0
  O  O20  1  0.433  0.838  0.374  1.0
  O  O21  1  0.162  0.567  0.126  1.0
  O  O22  1  0.567  0.162  0.626  1.0
  O  O23  1  0.838  0.433  0.874  1.0
  O  O24  1  0.380  0.162  0.171  1.0
  O  O25  1  0.838  0.620  0.329  1.0
  O  O26  1  0.620  0.838  0.829  1.0
  O  O27  1  0.162  0.380  0.671  1.0
  O  O28  1  0.136  0.029  0.425  1.0
  O  O29  1  0.971  0.864  0.075  1.0
  O  O30  1  0.864  0.971  0.575  1.0
  O  O31  1  0.029  0.136  0.925  1.0
  O  O32  1  0.593  0.407  0.250  1.0
  O  O33  1  0.407  0.593  0.750  1.0
[/CIF]
.