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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K(InAu2)2 by Materials Project

K(Au2In)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All K–Au bond lengths are 3.44 Å. Au1- is bonded in a 10-coordinate geometry to two equivalent K1+, four equivalent Au1-, and four equivalent In+1.50+ atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.02 Å. There are a spread of Au–In bond distances ranging from 2.88–2.98 Å. In+1.50+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(In3Au2)2 by Materials Project

K(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent Au and six equivalent In atoms to form face-sharing KIn6Au6 cuboctahedra. All K–Au bond lengths are 3.70 Å. All K–In bond lengths are 3.61 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent K and six In atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.89 Å) and six longer (2.99 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent K and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3InAu5 by Materials Project

K3Au5In crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to ten Au1- atoms. There are a spread of K–Au bond distances ranging from 3.37–3.76 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. There are four shorter (3.61 Å) and two longer (3.63 Å) K–Au bond lengths. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six equivalent K1+ and six Au1- atoms to form a mixture of edge and face-sharing AuK6Au6 cuboctahedra. There are four shorter (2.88 Å) and two longer (2.92 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent K1+ and six Au1- atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Au–Au bond lengths. In the third Au1- site, Au1- is bonded in a 1-coordinate geometry to six K1+, three Au1-, and one In2+ atom. The Au–In bond length is 2.71 Å. In2+ is bonded in a water-like geometry to two equivalent Au1- atoms.

36 MATERIALS SCIENCE↗