Materials Data on Cs2RbFe(CN)6 by Materials Project
Cs2Rb(CN)6Fe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two iron molecules and one Cs2Rb(CN)6 framework. In the Cs2Rb(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of Cs–N bond distances ranging from 3.24–3.67 Å. Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.99 Å) and two longer (3.04 Å) Rb–N bond lengths. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Rb1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one Cs1+, one Rb1+, and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Rb1+, and one C2+ atom.