La3Fe2S7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent S(3) atoms to form face-sharing FeS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one Fe(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent La(1) and one Fe(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Fe(2) atoms.
La3Fe2S7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. The La(1)-S(2) bond length is 2.90 Å. There are a spread of La(1)-S(1) bond distances ranging from 2.89-2.98 Å. There are a spread of La(1)-S(3) bond distances ranging from 2.90-3.49 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. The Fe(1)-S(2) bond length is 2.23 Å. All Fe(1)-S(1) bond lengths are 2.26 Å. In the second Fe site, Fe(2) is bonded to six equivalent S(3) atoms to form face-sharing FeS6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe(2)-S(3) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one Fe(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent La(1) and one Fe(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Fe(2) atoms.