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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb4CdCl6 by Materials Project

Rb4CdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.25 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.55 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.70 Å. Cl1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4CdCl6 by Materials Project

Rb4CdCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.22–3.67 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.18–3.91 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are two shorter (3.12 Å) and four longer (3.47 Å) Rb–Cl bond lengths. Cd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.50 Å) and two longer (2.63 Å) Cd–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Cd2+ atom. In the second Cl1- site, Cl1- is bonded to four Rb1+ atoms to form a mixture of distorted edge and corner-sharing ClRb4 trigonal pyramids. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗