Materials Data on Rb2CuCl4 by Materials Project
Rb2CuCl4 is (La,Ba)CuO4-like structured and crystallizes in the orthorhombic Cmce 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 3.34–3.60 Å. Cu2+ is bonded to six Cl1- atoms to form corner-sharing CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–Cl bond distances ranging from 2.30–2.79 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to five equivalent Rb1+ and one Cu2+ atom to form distorted ClRb5Cu octahedra that share corners with seventeen ClRb5Cu octahedra, edges with eight equivalent ClRb5Cu octahedra, and faces with four equivalent ClRb4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Cu2+ atoms to form distorted ClRb4Cu2 octahedra that share corners with fourteen ClRb5Cu octahedra, edges with two equivalent ClRb4Cu2 octahedra, and faces with eight ClRb5Cu octahedra. The corner-sharing octahedra tilt angles range from 0–59°.