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DOE OSTI2020

Materials Data on Rb(CoS)2 by Materials Project

Rb(CoS)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Rb–S bond lengths are 3.41 Å. Co+1.50+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.22 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Rb2CoS2 by Materials Project

Rb2CoS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.64 Å. Co2+ is bonded to four equivalent S2- atoms to form edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.32 Å. S2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗