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Results for “K-Mn-S”

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DOE OSTI2020

Materials Data on K6MnS4 by Materials Project

K6MnS4 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 3.23–3.42 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 3.13–3.21 Å. Mn2+ is bonded in a tetrahedral geometry to four S2- atoms. All Mn–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Mn2+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mn3S4 by Materials Project

K2Mn3S4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.74 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.78 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. There are a spread of Mn–S bond distances ranging from 2.41–2.51 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four K1+ and three Mn2+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four K1+ and three Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2MnS2 by Materials Project

K2MnS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.36 Å. Mn2+ is bonded to four equivalent S2- atoms to form edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. S2- is bonded in a 7-coordinate geometry to five equivalent K1+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗