Cd4Ge(SeS)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(1), one Se(2), one Se(3), and one S(1) atom to form CdSe3S tetrahedra that share corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(4)Se2S2 tetrahedra, corners with three equivalent Cd(2)Se3S tetrahedra, and corners with two equivalent Cd(3)Se2S2 trigonal pyramids. In the second Cd site, Cd(2) is bonded to one Se(1), one Se(2), one Se(3), and one S(2) atom to form CdSe3S tetrahedra that share corners with two equivalent Cd(4)Se2S2 tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(1)Se3S tetrahedra, and corners with three equivalent Cd(3)Se2S2 trigonal pyramids. In the third Cd site, Cd(3) is bonded to one Se(1), one Se(2), one S(2), and one S(3) atom to form CdSe2S2 trigonal pyramids that share corners with two equivalent Cd(1)Se3S tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(4)Se2S2 tetrahedra, and corners with three equivalent Cd(2)Se3S tetrahedra. In the fourth Cd site, Cd(4) is bonded to one Se(1), one Se(2), one S(1), and one S(3) atom to form CdSe2S2 tetrahedra that share corners with two equivalent Cd(2)Se3S tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(1)Se3S tetrahedra, and corners with three equivalent Cd(3)Se2S2 trigonal pyramids. Ge(1) is bonded to one Se(3), one S(1), one S(2), and one S(3) atom to form GeSeS3 tetrahedra that share corners with two equivalent Cd(4)Se2S2 tetrahedra, corners with two equivalent Cd(1)Se3S tetrahedra, corners with two equivalent Cd(2)Se3S tetrahedra, and corners with two equivalent Cd(3)Se2S2 trigonal pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form corner-sharing SeCd4 tetrahedra. In the second Se site, Se(2) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form corner-sharing SeCd4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one Ge(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Cd(4), and one Ge(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Ge(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Cd(3), one Cd(4), and one Ge(1) atom.
Cd4Ge(SeS)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(1), one Se(2), one Se(3), and one S(1) atom to form CdSe3S tetrahedra that share corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(4)Se2S2 tetrahedra, corners with three equivalent Cd(2)Se3S tetrahedra, and corners with two equivalent Cd(3)Se2S2 trigonal pyramids. The Cd(1)-Se(1) bond length is 2.71 Å. The Cd(1)-Se(2) bond length is 2.67 Å. The Cd(1)-Se(3) bond length is 2.70 Å. The Cd(1)-S(1) bond length is 2.66 Å. In the second Cd site, Cd(2) is bonded to one Se(1), one Se(2), one Se(3), and one S(2) atom to form CdSe3S tetrahedra that share corners with two equivalent Cd(4)Se2S2 tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(1)Se3S tetrahedra, and corners with three equivalent Cd(3)Se2S2 trigonal pyramids. The Cd(2)-Se(1) bond length is 2.68 Å. The Cd(2)-Se(2) bond length is 2.68 Å. The Cd(2)-Se(3) bond length is 2.75 Å. The Cd(2)-S(2) bond length is 2.60 Å. In the third Cd site, Cd(3) is bonded to one Se(1), one Se(2), one S(2), and one S(3) atom to form CdSe2S2 trigonal pyramids that share corners with two equivalent Cd(1)Se3S tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(4)Se2S2 tetrahedra, and corners with three equivalent Cd(2)Se3S tetrahedra. The Cd(3)-Se(1) bond length is 2.72 Å. The Cd(3)-Se(2) bond length is 2.69 Å. The Cd(3)-S(2) bond length is 2.59 Å. The Cd(3)-S(3) bond length is 2.74 Å. In the fourth Cd site, Cd(4) is bonded to one Se(1), one Se(2), one S(1), and one S(3) atom to form CdSe2S2 tetrahedra that share corners with two equivalent Cd(2)Se3S tetrahedra, corners with two equivalent Ge(1)SeS3 tetrahedra, corners with three equivalent Cd(1)Se3S tetrahedra, and corners with three equivalent Cd(3)Se2S2 trigonal pyramids. The Cd(4)-Se(1) bond length is 2.69 Å. The Cd(4)-Se(2) bond length is 2.73 Å. The Cd(4)-S(1) bond length is 2.60 Å. The Cd(4)-S(3) bond length is 2.61 Å. Ge(1) is bonded to one Se(3), one S(1), one S(2), and one S(3) atom to form GeSeS3 tetrahedra that share corners with two equivalent Cd(4)Se2S2 tetrahedra, corners with two equivalent Cd(1)Se3S tetrahedra, corners with two equivalent Cd(2)Se3S tetrahedra, and corners with two equivalent Cd(3)Se2S2 trigonal pyramids. The Ge(1)-Se(3) bond length is 2.37 Å. The Ge(1)-S(1) bond length is 2.23 Å. The Ge(1)-S(2) bond length is 2.25 Å. The Ge(1)-S(3) bond length is 2.23 Å. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form corner-sharing SeCd4 tetrahedra. In the second Se site, Se(2) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form corner-sharing SeCd4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one Ge(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Cd(4), and one Ge(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Ge(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Cd(3), one Cd(4), and one Ge(1) atom.