Cs3CoNO3I4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), one I(2), one I(3), and four equivalent I(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms. Co(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom.
Cs3CoNO3I4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), one I(2), one I(3), and four equivalent I(1) atoms. The Cs(1)-O(1) bond length is 3.06 Å. Both Cs(1)-O(2) bond lengths are 3.19 Å. The Cs(1)-I(2) bond length is 3.97 Å. The Cs(1)-I(3) bond length is 4.00 Å. There are two shorter (3.86 Å) and two longer (3.88 Å) Cs(1)-I(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms. The Cs(2)-O(1) bond length is 3.17 Å. There is one shorter (3.16 Å) and one longer (3.36 Å) Cs(2)-O(2) bond length. There is one shorter (3.98 Å) and one longer (4.01 Å) Cs(2)-I(1) bond length. There is one shorter (4.05 Å) and one longer (4.06 Å) Cs(2)-I(2) bond length. There is one shorter (4.05 Å) and one longer (4.16 Å) Cs(2)-I(3) bond length. Co(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. The Co(1)-I(2) bond length is 2.60 Å. The Co(1)-I(3) bond length is 2.59 Å. Both Co(1)-I(1) bond lengths are 2.59 Å. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. The N(1)-O(1) bond length is 1.26 Å. Both N(1)-O(2) bond lengths are 1.26 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom.