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.
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°. The Fe(1)-O(13) bond length is 2.14 Å. The Fe(1)-O(17) bond length is 2.17 Å. The Fe(1)-O(4) bond length is 2.15 Å. The Fe(1)-O(6) bond length is 2.18 Å. The Fe(1)-O(8) bond length is 2.20 Å. The Fe(1)-O(9) bond length is 2.30 Å. 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°. The Fe(2)-O(1) bond length is 2.19 Å. The Fe(2)-O(10) bond length is 2.30 Å. The Fe(2)-O(12) bond length is 2.18 Å. The Fe(2)-O(15) bond length is 2.18 Å. The Fe(2)-O(17) bond length is 2.14 Å. The Fe(2)-O(2) bond length is 2.15 Å. 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°. The Fe(3)-O(10) bond length is 2.20 Å. The Fe(3)-O(11) bond length is 2.29 Å. The Fe(3)-O(13) bond length is 2.19 Å. The Fe(3)-O(18) bond length is 2.12 Å. The Fe(3)-O(2) bond length is 2.18 Å. The Fe(3)-O(3) bond length is 2.14 Å. 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°. The Fe(4)-O(14) bond length is 2.12 Å. The Fe(4)-O(18) bond length is 2.20 Å. The Fe(4)-O(4) bond length is 2.16 Å. The Fe(4)-O(5) bond length is 2.17 Å. The Fe(4)-O(7) bond length is 2.24 Å. The Fe(4)-O(9) bond length is 2.24 Å. 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°. The Fe(5)-O(15) bond length is 2.12 Å. The Fe(5)-O(16) bond length is 2.20 Å. The Fe(5)-O(5) bond length is 2.16 Å. The Fe(5)-O(6) bond length is 2.14 Å. The Fe(5)-O(7) bond length is 2.21 Å. The Fe(5)-O(8) bond length is 2.30 Å. 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°. The Fe(6)-O(1) bond length is 2.14 Å. The Fe(6)-O(11) bond length is 2.19 Å. The Fe(6)-O(12) bond length is 2.30 Å. The Fe(6)-O(14) bond length is 2.19 Å. The Fe(6)-O(16) bond length is 2.14 Å. The Fe(6)-O(3) bond length is 2.19 Å. 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. The S(1)-O(1) bond length is 1.56 Å. The S(1)-O(13) bond length is 1.56 Å. The S(1)-O(7) bond length is 1.55 Å. 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. The S(2)-O(14) bond length is 1.57 Å. The S(2)-O(2) bond length is 1.56 Å. The S(2)-O(8) bond length is 1.55 Å. 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. The S(3)-O(15) bond length is 1.57 Å. The S(3)-O(3) bond length is 1.56 Å. The S(3)-O(9) bond length is 1.54 Å. 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. The S(4)-O(10) bond length is 1.55 Å. The S(4)-O(16) bond length is 1.56 Å. The S(4)-O(4) bond length is 1.57 Å. 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. The S(5)-O(11) bond length is 1.55 Å. The S(5)-O(17) bond length is 1.56 Å. The S(5)-O(5) bond length is 1.56 Å. 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. The S(6)-O(12) bond length is 1.55 Å. The S(6)-O(18) bond length is 1.56 Å. The S(6)-O(6) bond length is 1.56 Å. 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.