The material described by Na2Fe2C4SO16 crystallizes in the orthorhombic Fddd space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Na2Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.926
_cell_length_b   9.876
_cell_length_c   9.867
_cell_angle_alpha   60.365
_cell_angle_beta   59.862
_cell_angle_gamma   59.773
_symmetry_Int_Tables_number   1
_cell_volume   683.897
_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  0.961  0.539  0.961  1.0
  Na  Na1  1  0.539  0.961  0.539  1.0
  Na  Na2  1  0.711  0.289  0.711  1.0
  Na  Na3  1  0.289  0.711  0.289  1.0
  Fe  Fe4  1  0.125  0.625  0.125  1.0
  Fe  Fe5  1  0.625  0.125  0.125  1.0
  Fe  Fe6  1  0.125  0.125  0.625  1.0
  Fe  Fe7  1  0.125  0.125  0.125  1.0
  C  C8  1  0.336  0.334  0.988  1.0
  C  C9  1  0.334  0.336  0.342  1.0
  C  C10  1  0.342  0.988  0.334  1.0
  C  C11  1  0.988  0.342  0.336  1.0
  C  C12  1  0.262  0.908  0.914  1.0
  C  C13  1  0.908  0.262  0.916  1.0
  C  C14  1  0.916  0.914  0.908  1.0
  C  C15  1  0.914  0.916  0.262  1.0
  S  S16  1  0.750  0.750  0.750  1.0
  S  S17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.219  0.476  0.991  1.0
  O  O19  1  0.309  0.218  0.990  1.0
  O  O20  1  0.476  0.219  0.314  1.0
  O  O21  1  0.218  0.309  0.483  1.0
  O  O22  1  0.940  0.769  0.019  1.0
  O  O23  1  0.483  0.990  0.218  1.0
  O  O24  1  0.769  0.940  0.273  1.0
  O  O25  1  0.231  0.977  0.310  1.0
  O  O26  1  0.314  0.991  0.476  1.0
  O  O27  1  0.689  0.934  0.689  1.0
  O  O28  1  0.273  0.019  0.769  1.0
  O  O29  1  0.563  0.561  0.316  1.0
  O  O30  1  0.990  0.483  0.309  1.0
  O  O31  1  0.991  0.314  0.219  1.0
  O  O32  1  0.934  0.689  0.687  1.0
  O  O33  1  0.689  0.687  0.689  1.0
  O  O34  1  0.561  0.563  0.561  1.0
  O  O35  1  0.316  0.561  0.563  1.0
  O  O36  1  0.259  0.936  0.031  1.0
  O  O37  1  0.260  0.767  0.941  1.0
  O  O38  1  0.687  0.689  0.934  1.0
  O  O39  1  0.977  0.231  0.481  1.0
  O  O40  1  0.561  0.316  0.561  1.0
  O  O41  1  0.936  0.259  0.774  1.0
  O  O42  1  0.019  0.273  0.940  1.0
  O  O43  1  0.481  0.310  0.977  1.0
  O  O44  1  0.767  0.260  0.032  1.0
  O  O45  1  0.310  0.481  0.231  1.0
  O  O46  1  0.032  0.941  0.767  1.0
  O  O47  1  0.774  0.031  0.936  1.0
  O  O48  1  0.941  0.032  0.260  1.0
  O  O49  1  0.031  0.774  0.259  1.0
[/CIF]
.
The material described by Na2Fe2C4SO16 crystallizes in the orthorhombic Fddd space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Na2Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.926
_cell_length_b   9.876
_cell_length_c   9.867
_cell_angle_alpha   60.365
_cell_angle_beta   59.862
_cell_angle_gamma   59.773
_symmetry_Int_Tables_number   1
_cell_volume   683.897
_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  0.961  0.539  0.961  1.0
  Na  Na1  1  0.539  0.961  0.539  1.0
  Na  Na2  1  0.711  0.289  0.711  1.0
  Na  Na3  1  0.289  0.711  0.289  1.0
  Fe  Fe4  1  0.125  0.625  0.125  1.0
  Fe  Fe5  1  0.625  0.125  0.125  1.0
  Fe  Fe6  1  0.125  0.125  0.625  1.0
  Fe  Fe7  1  0.125  0.125  0.125  1.0
  C  C8  1  0.336  0.334  0.988  1.0
  C  C9  1  0.334  0.336  0.342  1.0
  C  C10  1  0.342  0.988  0.334  1.0
  C  C11  1  0.988  0.342  0.336  1.0
  C  C12  1  0.262  0.908  0.914  1.0
  C  C13  1  0.908  0.262  0.916  1.0
  C  C14  1  0.916  0.914  0.908  1.0
  C  C15  1  0.914  0.916  0.262  1.0
  S  S16  1  0.750  0.750  0.750  1.0
  S  S17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.219  0.476  0.991  1.0
  O  O19  1  0.309  0.218  0.990  1.0
  O  O20  1  0.476  0.219  0.314  1.0
  O  O21  1  0.218  0.309  0.483  1.0
  O  O22  1  0.940  0.769  0.019  1.0
  O  O23  1  0.483  0.990  0.218  1.0
  O  O24  1  0.769  0.940  0.273  1.0
  O  O25  1  0.231  0.977  0.310  1.0
  O  O26  1  0.314  0.991  0.476  1.0
  O  O27  1  0.689  0.934  0.689  1.0
  O  O28  1  0.273  0.019  0.769  1.0
  O  O29  1  0.563  0.561  0.316  1.0
  O  O30  1  0.990  0.483  0.309  1.0
  O  O31  1  0.991  0.314  0.219  1.0
  O  O32  1  0.934  0.689  0.687  1.0
  O  O33  1  0.689  0.687  0.689  1.0
  O  O34  1  0.561  0.563  0.561  1.0
  O  O35  1  0.316  0.561  0.563  1.0
  O  O36  1  0.259  0.936  0.031  1.0
  O  O37  1  0.260  0.767  0.941  1.0
  O  O38  1  0.687  0.689  0.934  1.0
  O  O39  1  0.977  0.231  0.481  1.0
  O  O40  1  0.561  0.316  0.561  1.0
  O  O41  1  0.936  0.259  0.774  1.0
  O  O42  1  0.019  0.273  0.940  1.0
  O  O43  1  0.481  0.310  0.977  1.0
  O  O44  1  0.767  0.260  0.032  1.0
  O  O45  1  0.310  0.481  0.231  1.0
  O  O46  1  0.032  0.941  0.767  1.0
  O  O47  1  0.774  0.031  0.936  1.0
  O  O48  1  0.941  0.032  0.260  1.0
  O  O49  1  0.031  0.774  0.259  1.0
[/CIF]
.