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Materials Data on KAuC2 by Materials Project

KAuC2 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one potassium molecule and one AuC2 ribbon oriented in the (0, 0, 1) direction. In the AuC2 ribbon, Au1- is bonded in a linear geometry to two equivalent C atoms. Both Au–C bond lengths are 2.00 Å. C is bonded in a linear geometry to one Au1- and one C atom. The C–C bond length is 1.25 Å.

36 MATERIALS SCIENCE↗

Materials Data on KAuC2(SN)2 by Materials Project

KAuC2(NS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.86–2.92 Å. There are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.37 Å. In the second Au1+ site, Au1+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.36 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Au1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Au1+ and one C4+ atom.

36 MATERIALS SCIENCE↗