Materials Data on RbCd6C12ClO26 by Materials Project
RbCd6C12O24ClO2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six water molecules and one RbCd6C12O24Cl framework. In the RbCd6C12O24Cl framework, Rb1+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are six shorter (3.04 Å) and six longer (3.14 Å) Rb–O bond lengths. Cd2+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.35–2.42 Å. The Cd–Cl bond length is 2.95 Å. There are two inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one C+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one C+3.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. Cl1- is bonded in a distorted octahedral geometry to six equivalent Cd2+ atoms.