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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2CdC2Cl2O5 by Materials Project

Rb2CdC2O5Cl2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to five O2- and four equivalent Cl1- atoms. There are a spread of Rb–O bond distances ranging from 3.07–3.33 Å. There are a spread of Rb–Cl bond distances ranging from 3.35–3.80 Å. Cd2+ is bonded in an octahedral geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.40 Å. Both Cd–Cl bond lengths are 2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cd2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Cd2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Cd2+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent Cl1- atoms. Both O–Cl bond lengths are 3.51 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cd2+, and one C4+ atom. Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Cd2+, and one O2- atom.

36 MATERIALS SCIENCE↗