The crystal structure described by FeSO3 crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(15), one O(17), and one O(2) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(13), one O(18), one O(2), and one O(3) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 70-71°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(18), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 69-71°. In the fifth Fe site, Fe(5) is bonded to one O(15), one O(16), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(3) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(13), and one O(7) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(14), one O(2), and one O(8) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(15), one O(3), and one O(9) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(16), and one O(4) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one O(11), one O(17), and one O(5) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one O(12), one O(18), and one O(6) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one S(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one S(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one S(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one S(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one S(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one S(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one S(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4), one Fe(6), and one S(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one S(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one S(5) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one S(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.940
_cell_length_b   7.930
_cell_length_c   7.944
_cell_angle_alpha   109.222
_cell_angle_beta   109.532
_cell_angle_gamma   109.669
_symmetry_Int_Tables_number   1
_cell_volume   384.973
_cell_formula_units_Z   6
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
  Fe  Fe0  1  0.310  0.132  0.811  1.0
  Fe  Fe1  1  0.190  0.691  0.868  1.0
  Fe  Fe2  1  0.866  0.188  0.689  1.0
  Fe  Fe3  1  0.816  0.313  0.131  1.0
  Fe  Fe4  1  0.133  0.812  0.312  1.0
  Fe  Fe5  1  0.690  0.868  0.189  1.0
  S  S6  1  0.292  0.473  0.146  1.0
  S  S7  1  0.147  0.294  0.476  1.0
  S  S8  1  0.474  0.146  0.291  1.0
  S  S9  1  0.708  0.525  0.854  1.0
  S  S10  1  0.854  0.708  0.525  1.0
  S  S11  1  0.524  0.853  0.707  1.0
  O  O12  1  0.386  0.635  0.086  1.0
  O  O13  1  0.085  0.386  0.635  1.0
  O  O14  1  0.635  0.085  0.385  1.0
  O  O15  1  0.616  0.364  0.917  1.0
  O  O16  1  0.917  0.618  0.367  1.0
  O  O17  1  0.365  0.916  0.615  1.0
  O  O18  1  0.127  0.515  0.185  1.0
  O  O19  1  0.185  0.128  0.516  1.0
  O  O20  1  0.516  0.185  0.128  1.0
  O  O21  1  0.872  0.483  0.814  1.0
  O  O22  1  0.813  0.872  0.482  1.0
  O  O23  1  0.482  0.812  0.871  1.0
  O  O24  1  0.157  0.265  0.937  1.0
  O  O25  1  0.937  0.160  0.266  1.0
  O  O26  1  0.265  0.935  0.157  1.0
  O  O27  1  0.842  0.734  0.062  1.0
  O  O28  1  0.063  0.844  0.735  1.0
  O  O29  1  0.733  0.061  0.840  1.0
[/CIF]
.
The crystal structure described by FeSO3 crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(15), one O(17), and one O(2) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(13), one O(18), one O(2), and one O(3) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 70-71°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(18), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 69-71°. In the fifth Fe site, Fe(5) is bonded to one O(15), one O(16), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(3) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(13), and one O(7) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(14), one O(2), and one O(8) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(15), one O(3), and one O(9) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(16), and one O(4) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one O(11), one O(17), and one O(5) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one O(12), one O(18), and one O(6) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one S(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one S(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one S(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one S(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one S(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one S(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one S(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4), one Fe(6), and one S(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one S(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one S(5) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one S(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.940
_cell_length_b   7.930
_cell_length_c   7.944
_cell_angle_alpha   109.222
_cell_angle_beta   109.532
_cell_angle_gamma   109.669
_symmetry_Int_Tables_number   1
_cell_volume   384.973
_cell_formula_units_Z   6
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
  Fe  Fe0  1  0.310  0.132  0.811  1.0
  Fe  Fe1  1  0.190  0.691  0.868  1.0
  Fe  Fe2  1  0.866  0.188  0.689  1.0
  Fe  Fe3  1  0.816  0.313  0.131  1.0
  Fe  Fe4  1  0.133  0.812  0.312  1.0
  Fe  Fe5  1  0.690  0.868  0.189  1.0
  S  S6  1  0.292  0.473  0.146  1.0
  S  S7  1  0.147  0.294  0.476  1.0
  S  S8  1  0.474  0.146  0.291  1.0
  S  S9  1  0.708  0.525  0.854  1.0
  S  S10  1  0.854  0.708  0.525  1.0
  S  S11  1  0.524  0.853  0.707  1.0
  O  O12  1  0.386  0.635  0.086  1.0
  O  O13  1  0.085  0.386  0.635  1.0
  O  O14  1  0.635  0.085  0.385  1.0
  O  O15  1  0.616  0.364  0.917  1.0
  O  O16  1  0.917  0.618  0.367  1.0
  O  O17  1  0.365  0.916  0.615  1.0
  O  O18  1  0.127  0.515  0.185  1.0
  O  O19  1  0.185  0.128  0.516  1.0
  O  O20  1  0.516  0.185  0.128  1.0
  O  O21  1  0.872  0.483  0.814  1.0
  O  O22  1  0.813  0.872  0.482  1.0
  O  O23  1  0.482  0.812  0.871  1.0
  O  O24  1  0.157  0.265  0.937  1.0
  O  O25  1  0.937  0.160  0.266  1.0
  O  O26  1  0.265  0.935  0.157  1.0
  O  O27  1  0.842  0.734  0.062  1.0
  O  O28  1  0.063  0.844  0.735  1.0
  O  O29  1  0.733  0.061  0.840  1.0
[/CIF]
.