CrSO6 crystallizes in the monoclinic Cc space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(18), and one O(3) atom. In the second Cr site, Cr(2) is bonded to one O(13), one O(14), one O(16), one O(4), one O(7), and one O(9) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the third Cr site, Cr(3) is bonded to one O(10), one O(14), one O(15), one O(17), one O(5), and one O(6) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the second S site, S(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the third S site, S(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cr(3) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(2) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one S(3) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Cr(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Cr(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Cr(1) atom.
CrSO6 crystallizes in the monoclinic Cc space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(18), and one O(3) atom. The Cr(1)-O(1) bond length is 2.20 Å. The Cr(1)-O(11) bond length is 2.05 Å. The Cr(1)-O(13) bond length is 1.72 Å. The Cr(1)-O(15) bond length is 1.74 Å. The Cr(1)-O(18) bond length is 1.58 Å. The Cr(1)-O(3) bond length is 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(13), one O(14), one O(16), one O(4), one O(7), and one O(9) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. The Cr(2)-O(13) bond length is 1.89 Å. The Cr(2)-O(14) bond length is 1.70 Å. The Cr(2)-O(16) bond length is 1.58 Å. The Cr(2)-O(4) bond length is 2.08 Å. The Cr(2)-O(7) bond length is 2.14 Å. The Cr(2)-O(9) bond length is 1.91 Å. In the third Cr site, Cr(3) is bonded to one O(10), one O(14), one O(15), one O(17), one O(5), and one O(6) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. The Cr(3)-O(10) bond length is 1.96 Å. The Cr(3)-O(14) bond length is 1.97 Å. The Cr(3)-O(15) bond length is 1.87 Å. The Cr(3)-O(17) bond length is 1.58 Å. The Cr(3)-O(5) bond length is 1.96 Å. The Cr(3)-O(6) bond length is 2.15 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.45 Å. The S(1)-O(4) bond length is 1.50 Å. The S(1)-O(5) bond length is 1.51 Å. In the second S site, S(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. The S(2)-O(3) bond length is 1.53 Å. The S(2)-O(6) bond length is 1.50 Å. The S(2)-O(7) bond length is 1.49 Å. The S(2)-O(8) bond length is 1.44 Å. In the third S site, S(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. The S(3)-O(10) bond length is 1.52 Å. The S(3)-O(11) bond length is 1.49 Å. The S(3)-O(12) bond length is 1.43 Å. The S(3)-O(9) bond length is 1.54 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cr(3) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(2) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one S(3) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Cr(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Cr(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Cr(1) atom.