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Results for “Co-K-S”

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DOE OSTI2020

Materials Data on K(CoS)2 by Materials Project

K(CoS)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.31 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 4-coordinate geometry to four equivalent K1+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6CoS4 by Materials Project

K6CoS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.36 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of K–S bond distances ranging from 3.12–3.18 Å. Co2+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Co2+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Co2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2CoS2 by Materials Project

K2CoS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.56 Å. Co2+ is bonded to four equivalent S2- atoms to form edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.31 Å. S2- is bonded in a 2-coordinate geometry to six equivalent K1+ and two equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗