Ce2ZrS5 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Zr(1) atoms. In the second S site, S(2) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of distorted corner and edge-sharing SCe4Zr trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of corner, face, and edge-sharing SCe4Zr square pyramids. In the fourth S site, S(4) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of distorted corner, face, and edge-sharing SCe4Zr trigonal bipyramids.
Ce2ZrS5 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Both Ce(1)-S(1) bond lengths are 3.00 Å. There is one shorter (2.95 Å) and one longer (3.04 Å) Ce(1)-S(2) bond length. There is one shorter (2.89 Å) and one longer (2.92 Å) Ce(1)-S(3) bond length. There is one shorter (2.92 Å) and one longer (2.95 Å) Ce(1)-S(4) bond length. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. The Zr(1)-S(2) bond length is 2.65 Å. The Zr(1)-S(3) bond length is 2.75 Å. The Zr(1)-S(4) bond length is 2.60 Å. There are two shorter (2.55 Å) and two longer (2.72 Å) Zr(1)-S(1) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Zr(1) atoms. In the second S site, S(2) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of distorted corner and edge-sharing SCe4Zr trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of corner, face, and edge-sharing SCe4Zr square pyramids. In the fourth S site, S(4) is bonded to four equivalent Ce(1) and one Zr(1) atom to form a mixture of distorted corner, face, and edge-sharing SCe4Zr trigonal bipyramids.