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DOE OSTI · 1204310

Materials Data on Rb2CdCl4 by Materials Project

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Abstract

Rb2CdCl4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.28–3.77 Å. Cd2+ is bonded to six Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.62 Å) and four longer (2.66 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second Cl1- site, Cl1- is bonded to five equivalent Rb1+ and one Cd2+ atom to form distorted ClRb5Cd octahedra that share corners with seventeen ClRb4Cd2 octahedra, edges with eight equivalent ClRb5Cd octahedra, and faces with four equivalent ClRb4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.

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36 MATERIALS SCIENCECd-Cl-Rbcrystal structureRb2CdCl4

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2020-07-15. Materials Data on Rb2CdCl4 by Materials Project. https://doi.org/10.17188/1204310

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36 MATERIALS SCIENCE↗