Tl2CrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Cr(1) and one Tl(2) atom.
Tl2CrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Cr(1)-O(2) bond length is 1.66 Å. The Cr(1)-O(3) bond length is 1.65 Å. Both Cr(1)-O(1) bond lengths are 1.65 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There is one shorter (2.66 Å) and one longer (2.92 Å) Tl(1)-O(2) bond length. There are two shorter (2.80 Å) and two longer (2.85 Å) Tl(1)-O(1) bond lengths. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(3) atom. The Tl(2)-O(3) bond length is 2.61 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Cr(1) and one Tl(2) atom.