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HgCdS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to four equivalent S1- atoms. All Hg–S bond lengths are 2.63 Å. Cd2+ is bonded in a distorted square co-planar geometry to four equivalent S1- atoms. All Cd–S bond lengths are 2.63 Å. S1- is bonded in a 2-coordinate geometry to one Hg2+ and one Cd2+ atom.
CdHgS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of two cadmium molecules and one HgS4 framework. In the HgS4 framework, Hg2+ is bonded in a 8-coordinate geometry to two equivalent Hg2+ and eight equivalent S1- atoms. Both Hg–Hg bond lengths are 3.01 Å. There are four shorter (3.29 Å) and four longer (3.32 Å) Hg–S bond lengths. S1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent S1- atoms. Both S–S bond lengths are 2.15 Å.