Materials Data on KTbRuC6(N3O2)2 by Materials Project

Abstract

KTb(CN)6Ru(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules; four ruthenium molecules; and two KTb(CN)6 sheets oriented in the (0, 0, 1) direction. In each KTb(CN)6 sheet, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are two shorter (2.88 Å) and four longer (2.97 Å) K–N bond lengths. Tb3+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.37 Å) and two longer (2.46 Å) Tb–N bond lengths. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to one K1+, one Tb3+, and one C+2.67+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one K1+, one Tb3+, and one C+2.67+ atom.