CsNbS2O9 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(1) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Nb(1) and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one S(2) atom. In the third O site, O(5) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one S(1) atom. In the sixth O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(2) atom.
CsNbS2O9 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. The Cs(1)-O(4) bond length is 2.96 Å. Both Cs(1)-O(1) bond lengths are 3.56 Å. Both Cs(1)-O(5) bond lengths are 3.23 Å. Both Cs(1)-O(6) bond lengths are 3.34 Å. Both Cs(1)-O(7) bond lengths are 3.66 Å. Nb(1) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(2) atoms. The Nb(1)-O(3) bond length is 2.42 Å. The Nb(1)-O(7) bond length is 1.73 Å. Both Nb(1)-O(1) bond lengths are 2.08 Å. Both Nb(1)-O(2) bond lengths are 2.02 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(1) atoms. The S(1)-O(3) bond length is 1.47 Å. The S(1)-O(6) bond length is 1.45 Å. Both S(1)-O(1) bond lengths are 1.52 Å. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(2) atoms. The S(2)-O(4) bond length is 1.44 Å. The S(2)-O(5) bond length is 1.45 Å. Both S(2)-O(2) bond lengths are 1.54 Å. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Nb(1) and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one S(2) atom. In the third O site, O(5) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one S(1) atom. In the sixth O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(2) atom.