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Results for “K-S-Zn”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2Zn3S4 by Materials Project

K2Zn3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.36–3.57 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.38 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing ZnS4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.46 Å) Zn–S bond lengths. S2- is bonded in a 7-coordinate geometry to four equivalent K1+ and three Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6ZnS4 by Materials Project

K6ZnS4 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 4-coordinate geometry to four S2- atoms. There are three shorter (3.15 Å) and one longer (3.20 Å) K–S bond lengths. In the second 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 3.22–3.39 Å. Zn2+ is bonded in a tetrahedral geometry to four S2- atoms. All Zn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2ZnS2 by Materials Project

K2ZnS2 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 3.20–3.61 Å. Zn2+ is bonded to four equivalent S2- atoms to form edge-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.40 Å. S2- is bonded in a 2-coordinate geometry to six equivalent K1+ and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗