Materials Data on CsCdAuS2 by Materials Project
CsAuCdS2 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent Au1+ and eight equivalent S2- atoms. Both Cs–Au bond lengths are 3.83 Å. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. Au1+ is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Au1+, and two equivalent S2- atoms. Both Au–Au bond lengths are 3.42 Å. Both Au–S bond lengths are 2.34 Å. Cd2+ is bonded to four equivalent S2- atoms to form edge-sharing CdS4 tetrahedra. All Cd–S bond lengths are 2.62 Å. S2- is bonded in a 7-coordinate geometry to four equivalent Cs1+, one Au1+, and two equivalent Cd2+ atoms.
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