Materials Data on RbCuC2 by Materials Project

Abstract

RbCuC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight C1- atoms. All Rb–C bond lengths are 3.31 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight C1- atoms. All Rb–C bond lengths are 3.31 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two C1- atoms. Both Cu–C bond lengths are 1.84 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two C1- atoms. Both Cu–C bond lengths are 1.84 Å. There are three inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted linear geometry to four Rb1+, one Cu1+, and one C1- atom. The C–C bond length is 1.25 Å. In the second C1- site, C1- is bonded in a distorted linear geometry to four Rb1+, one Cu1+, and one C1- atom. The C–C bond length is 1.25 Å. In the third C1- site, C1- is bonded in a distorted linear geometry to four Rb1+, one Cu1+, and one C1- atom.