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Materials Data on Cd(Mo3S4)2 by Materials Project

Cd1Mo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.51 Å. Cd2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are two shorter (2.46 Å) and six longer (3.25 Å) Cd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.33+ and one Cd2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.33+ and one Cd2+ atom.

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