Materials Data on Rb2NbCuSe2 by Materials Project

Abstract

Rb2NbCuSe2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuSe2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent Se atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–Se bond distances ranging from 3.33–3.71 Å. Nb is bonded in a 4-coordinate geometry to four equivalent Se atoms. There are two shorter (2.58 Å) and two longer (2.90 Å) Nb–Se bond lengths. Cu is bonded in a distorted linear geometry to two equivalent Rb and two equivalent Se atoms. Both Cu–Se bond lengths are 2.28 Å. Se is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.