The structure described by Na3Fe(SO4)3 crystallizes in the trigonal R-3 space group. Na(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Fe(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Fe(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.495
_cell_length_b   8.495
_cell_length_c   8.495
_cell_angle_alpha   107.652
_cell_angle_beta   107.652
_cell_angle_gamma   107.652
_symmetry_Int_Tables_number   1
_cell_volume   501.222
_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  0.616  0.141  0.767  1.0
  Na  Na1  1  0.767  0.616  0.141  1.0
  Na  Na2  1  0.141  0.767  0.616  1.0
  Na  Na3  1  0.384  0.859  0.233  1.0
  Na  Na4  1  0.233  0.384  0.859  1.0
  Na  Na5  1  0.859  0.233  0.384  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.901  0.552  0.767  1.0
  S  S9  1  0.767  0.901  0.552  1.0
  S  S10  1  0.552  0.767  0.901  1.0
  S  S11  1  0.099  0.448  0.233  1.0
  S  S12  1  0.233  0.099  0.448  1.0
  S  S13  1  0.448  0.233  0.099  1.0
  O  O14  1  0.757  0.520  0.590  1.0
  O  O15  1  0.590  0.757  0.520  1.0
  O  O16  1  0.520  0.590  0.757  1.0
  O  O17  1  0.243  0.480  0.410  1.0
  O  O18  1  0.410  0.243  0.480  1.0
  O  O19  1  0.480  0.410  0.243  1.0
  O  O20  1  0.817  0.459  0.861  1.0
  O  O21  1  0.861  0.817  0.459  1.0
  O  O22  1  0.459  0.861  0.817  1.0
  O  O23  1  0.183  0.541  0.139  1.0
  O  O24  1  0.139  0.183  0.541  1.0
  O  O25  1  0.541  0.139  0.183  1.0
  O  O26  1  0.032  0.491  0.717  1.0
  O  O27  1  0.717  0.032  0.491  1.0
  O  O28  1  0.491  0.717  0.032  1.0
  O  O29  1  0.968  0.509  0.283  1.0
  O  O30  1  0.283  0.968  0.509  1.0
  O  O31  1  0.509  0.283  0.968  1.0
  O  O32  1  0.006  0.756  0.887  1.0
  O  O33  1  0.887  0.006  0.756  1.0
  O  O34  1  0.756  0.887  0.006  1.0
  O  O35  1  0.994  0.244  0.113  1.0
  O  O36  1  0.113  0.994  0.244  1.0
  O  O37  1  0.244  0.113  0.994  1.0
[/CIF]
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The structure described by Na3Fe(SO4)3 crystallizes in the trigonal R-3 space group. Na(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Fe(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Fe(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.495
_cell_length_b   8.495
_cell_length_c   8.495
_cell_angle_alpha   107.652
_cell_angle_beta   107.652
_cell_angle_gamma   107.652
_symmetry_Int_Tables_number   1
_cell_volume   501.222
_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  0.616  0.141  0.767  1.0
  Na  Na1  1  0.767  0.616  0.141  1.0
  Na  Na2  1  0.141  0.767  0.616  1.0
  Na  Na3  1  0.384  0.859  0.233  1.0
  Na  Na4  1  0.233  0.384  0.859  1.0
  Na  Na5  1  0.859  0.233  0.384  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.901  0.552  0.767  1.0
  S  S9  1  0.767  0.901  0.552  1.0
  S  S10  1  0.552  0.767  0.901  1.0
  S  S11  1  0.099  0.448  0.233  1.0
  S  S12  1  0.233  0.099  0.448  1.0
  S  S13  1  0.448  0.233  0.099  1.0
  O  O14  1  0.757  0.520  0.590  1.0
  O  O15  1  0.590  0.757  0.520  1.0
  O  O16  1  0.520  0.590  0.757  1.0
  O  O17  1  0.243  0.480  0.410  1.0
  O  O18  1  0.410  0.243  0.480  1.0
  O  O19  1  0.480  0.410  0.243  1.0
  O  O20  1  0.817  0.459  0.861  1.0
  O  O21  1  0.861  0.817  0.459  1.0
  O  O22  1  0.459  0.861  0.817  1.0
  O  O23  1  0.183  0.541  0.139  1.0
  O  O24  1  0.139  0.183  0.541  1.0
  O  O25  1  0.541  0.139  0.183  1.0
  O  O26  1  0.032  0.491  0.717  1.0
  O  O27  1  0.717  0.032  0.491  1.0
  O  O28  1  0.491  0.717  0.032  1.0
  O  O29  1  0.968  0.509  0.283  1.0
  O  O30  1  0.283  0.968  0.509  1.0
  O  O31  1  0.509  0.283  0.968  1.0
  O  O32  1  0.006  0.756  0.887  1.0
  O  O33  1  0.887  0.006  0.756  1.0
  O  O34  1  0.756  0.887  0.006  1.0
  O  O35  1  0.994  0.244  0.113  1.0
  O  O36  1  0.113  0.994  0.244  1.0
  O  O37  1  0.244  0.113  0.994  1.0
[/CIF]
.