La2ZrS5 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms. Zr(1) is bonded to one S(1), one S(3), one S(4), and four equivalent S(2) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of distorted face, corner, and edge-sharing SLa4Zr trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Zr(1) atoms. In the third S site, S(3) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of distorted corner and edge-sharing SLa4Zr trigonal bipyramids. In the fourth S site, S(4) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of face, corner, and edge-sharing SLa4Zr trigonal bipyramids.
La2ZrS5 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms. There is one shorter (2.96 Å) and one longer (2.98 Å) La(1)-S(1) bond length. There is one shorter (2.99 Å) and one longer (3.05 Å) La(1)-S(3) bond length. There is one shorter (2.91 Å) and one longer (2.94 Å) La(1)-S(4) bond length. There are two shorter (3.06 Å) and one longer (3.51 Å) La(1)-S(2) bond length. Zr(1) is bonded to one S(1), one S(3), one S(4), and four equivalent S(2) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. The Zr(1)-S(1) bond length is 2.59 Å. The Zr(1)-S(3) bond length is 2.63 Å. The Zr(1)-S(4) bond length is 2.74 Å. There are two shorter (2.57 Å) and two longer (2.74 Å) Zr(1)-S(2) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of distorted face, corner, and edge-sharing SLa4Zr trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Zr(1) atoms. In the third S site, S(3) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of distorted corner and edge-sharing SLa4Zr trigonal bipyramids. In the fourth S site, S(4) is bonded to four equivalent La(1) and one Zr(1) atom to form a mixture of face, corner, and edge-sharing SLa4Zr trigonal bipyramids.