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Materials Data on RbCdBr3 by Materials Project

RbCdBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.55–3.75 Å. Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.69–2.92 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to one Rb1+ and three equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb4CdBr6 by Materials Project

Rb4CdBr6 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 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.77 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.42 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Cd–Br bond lengths are 2.85 Å. Br1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

36 MATERIALS SCIENCE↗