Ru2SeS3 is Pyrite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Se(1), one S(1), two equivalent S(2), and two equivalent S(3) atoms to form RuSeS5 octahedra that share corners with four equivalent Ru(1)SeS5 octahedra, corners with eight equivalent Ru(2)Se2S4 octahedra,  a cornercorner with one Se(1)Ru3S tetrahedra,  a cornercorner with one S(1)Ru3Se tetrahedra, corners with two equivalent S(2)Ru3S tetrahedra, and corners with two equivalent S(3)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. In the second Ru site, Ru(2) is bonded to two equivalent Se(1), one S(2), one S(3), and two equivalent S(1) atoms to form RuSe2S4 octahedra that share corners with four equivalent Ru(2)Se2S4 octahedra, corners with eight equivalent Ru(1)SeS5 octahedra,  a cornercorner with one S(2)Ru3S tetrahedra,  a cornercorner with one S(3)Ru3S tetrahedra, corners with two equivalent Se(1)Ru3S tetrahedra, and corners with two equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. Se(1) is bonded to one Ru(1), two equivalent Ru(2), and one S(1) atom to form SeRu3S tetrahedra that share  a cornercorner with one Ru(1)SeS5 octahedra, corners with two equivalent Ru(2)Se2S4 octahedra, corners with two equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(2)Ru3S tetrahedra, corners with four equivalent S(3)Ru3S tetrahedra, and corners with five equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 78-79°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ru(1), two equivalent Ru(2), and one Se(1) atom to form distorted SRu3Se tetrahedra that share  a cornercorner with one Ru(1)SeS5 octahedra, corners with two equivalent Ru(2)Se2S4 octahedra, corners with two equivalent S(1)Ru3Se tetrahedra, corners with four equivalent S(2)Ru3S tetrahedra, corners with four equivalent S(3)Ru3S tetrahedra, and corners with five equivalent Se(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. In the second S site, S(2) is bonded to one Ru(2), two equivalent Ru(1), and one S(3) atom to form distorted SRu3S tetrahedra that share  a cornercorner with one Ru(2)Se2S4 octahedra, corners with two equivalent Ru(1)SeS5 octahedra, corners with two equivalent S(2)Ru3S tetrahedra, corners with four equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(1)Ru3Se tetrahedra, and corners with five equivalent S(3)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-78°. In the third S site, S(3) is bonded to one Ru(2), two equivalent Ru(1), and one S(2) atom to form distorted SRu3S tetrahedra that share  a cornercorner with one Ru(2)Se2S4 octahedra, corners with two equivalent Ru(1)SeS5 octahedra, corners with two equivalent S(3)Ru3S tetrahedra, corners with four equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(1)Ru3Se tetrahedra, and corners with five equivalent S(2)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-78°.
Ru2SeS3 is Pyrite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Se(1), one S(1), two equivalent S(2), and two equivalent S(3) atoms to form RuSeS5 octahedra that share corners with four equivalent Ru(1)SeS5 octahedra, corners with eight equivalent Ru(2)Se2S4 octahedra,  a cornercorner with one Se(1)Ru3S tetrahedra,  a cornercorner with one S(1)Ru3Se tetrahedra, corners with two equivalent S(2)Ru3S tetrahedra, and corners with two equivalent S(3)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. The Ru(1)-Se(1) bond length is 2.45 Å. The Ru(1)-S(1) bond length is 2.36 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Ru(1)-S(2) bond length. There is one shorter (2.39 Å) and one longer (2.41 Å) Ru(1)-S(3) bond length. In the second Ru site, Ru(2) is bonded to two equivalent Se(1), one S(2), one S(3), and two equivalent S(1) atoms to form RuSe2S4 octahedra that share corners with four equivalent Ru(2)Se2S4 octahedra, corners with eight equivalent Ru(1)SeS5 octahedra,  a cornercorner with one S(2)Ru3S tetrahedra,  a cornercorner with one S(3)Ru3S tetrahedra, corners with two equivalent Se(1)Ru3S tetrahedra, and corners with two equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. There is one shorter (2.44 Å) and one longer (2.45 Å) Ru(2)-Se(1) bond length. The Ru(2)-S(2) bond length is 2.40 Å. The Ru(2)-S(3) bond length is 2.39 Å. There is one shorter (2.35 Å) and one longer (2.36 Å) Ru(2)-S(1) bond length. Se(1) is bonded to one Ru(1), two equivalent Ru(2), and one S(1) atom to form SeRu3S tetrahedra that share  a cornercorner with one Ru(1)SeS5 octahedra, corners with two equivalent Ru(2)Se2S4 octahedra, corners with two equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(2)Ru3S tetrahedra, corners with four equivalent S(3)Ru3S tetrahedra, and corners with five equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 78-79°. The Se(1)-S(1) bond length is 2.33 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ru(1), two equivalent Ru(2), and one Se(1) atom to form distorted SRu3Se tetrahedra that share  a cornercorner with one Ru(1)SeS5 octahedra, corners with two equivalent Ru(2)Se2S4 octahedra, corners with two equivalent S(1)Ru3Se tetrahedra, corners with four equivalent S(2)Ru3S tetrahedra, corners with four equivalent S(3)Ru3S tetrahedra, and corners with five equivalent Se(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. In the second S site, S(2) is bonded to one Ru(2), two equivalent Ru(1), and one S(3) atom to form distorted SRu3S tetrahedra that share  a cornercorner with one Ru(2)Se2S4 octahedra, corners with two equivalent Ru(1)SeS5 octahedra, corners with two equivalent S(2)Ru3S tetrahedra, corners with four equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(1)Ru3Se tetrahedra, and corners with five equivalent S(3)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-78°. The S(2)-S(3) bond length is 2.27 Å. In the third S site, S(3) is bonded to one Ru(2), two equivalent Ru(1), and one S(2) atom to form distorted SRu3S tetrahedra that share  a cornercorner with one Ru(2)Se2S4 octahedra, corners with two equivalent Ru(1)SeS5 octahedra, corners with two equivalent S(3)Ru3S tetrahedra, corners with four equivalent Se(1)Ru3S tetrahedra, corners with four equivalent S(1)Ru3Se tetrahedra, and corners with five equivalent S(2)Ru3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-78°.