La2HfS5 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Hf(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing HfS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Hf(1) atoms. In the second S site, S(2) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of distorted corner and edge-sharing SLa4Hf trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of corner, face, and edge-sharing SLa4Hf trigonal bipyramids. In the fourth S site, S(4) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of distorted corner, face, and edge-sharing SLa4Hf trigonal bipyramids.
La2HfS5 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. There is one shorter (2.98 Å) and one longer (3.05 Å) La(1)-S(2) bond length. There is one shorter (2.89 Å) and one longer (2.93 Å) La(1)-S(3) bond length. There is one shorter (2.96 Å) and one longer (2.98 Å) La(1)-S(4) bond length. There are a spread of La(1)-S(1) bond distances ranging from 3.09-3.38 Å. Hf(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing HfS7 pentagonal bipyramids. The Hf(1)-S(2) bond length is 2.59 Å. The Hf(1)-S(3) bond length is 2.73 Å. The Hf(1)-S(4) bond length is 2.55 Å. There are two shorter (2.56 Å) and two longer (2.72 Å) Hf(1)-S(1) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Hf(1) atoms. In the second S site, S(2) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of distorted corner and edge-sharing SLa4Hf trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of corner, face, and edge-sharing SLa4Hf trigonal bipyramids. In the fourth S site, S(4) is bonded to four equivalent La(1) and one Hf(1) atom to form a mixture of distorted corner, face, and edge-sharing SLa4Hf trigonal bipyramids.