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Results for “K-Pd-S”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2Pd3S4 by Materials Project

K2Pd3S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.46–3.67 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.36 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. S2- is bonded in a 7-coordinate geometry to four equivalent K1+ and three Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on K2Pd3S2 by Materials Project

K2Pd3S2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2Pd3S2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 4-coordinate geometry to three equivalent Pd and two equivalent S atoms. There are a spread of K–Pd bond distances ranging from 3.10–3.52 Å. There are one shorter (3.27 Å) and one longer (3.37 Å) K–S bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent K, four Pd, and one S atom. There are a spread of Pd–Pd bond distances ranging from 2.65–2.93 Å. The Pd–S bond length is 2.30 Å. In the second Pd site, Pd is bonded in a distorted linear geometry to four equivalent Pd and two equivalent S atoms. Both Pd–S bond lengths are 2.38 Å. S is bonded in a 5-coordinate geometry to two equivalent K, two Pd, and one S atom. The S–S bond length is 2.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PdS2 by Materials Project

K2PdS2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are four shorter (3.30 Å) and two longer (3.32 Å) K–S bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.40 Å. S2- is bonded in a 2-coordinate geometry to six equivalent K1+ and two equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗