Pr4CuS7 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Pr(2), three equivalent Pr(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms.
Pr4CuS7 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Pr(1)-S(3) bond length is 2.75 Å. There are a spread of Pr(1)-S(1) bond distances ranging from 2.86-3.04 Å. There are a spread of Pr(1)-S(2) bond distances ranging from 2.89-3.19 Å. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Pr(2)-S(3) bond length is 2.71 Å. All Pr(2)-S(1) bond lengths are 3.59 Å. All Pr(2)-S(2) bond lengths are 2.72 Å. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. All Cu(1)-S(1) bond lengths are 2.21 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Pr(2), three equivalent Pr(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms.