Materials Data on RbCu2I3 by Materials Project
RbCu2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–3.93 Å. Cu1+ is bonded to four I1- atoms to form a mixture of corner and edge-sharing CuI4 tetrahedra. There are a spread of Cu–I bond distances ranging from 2.61–2.74 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four equivalent Cu1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Cu1+ atoms.