Materials Data on Rb2TaCuS2 by Materials Project

Abstract

Rb2TaCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2TaCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 3-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–S bond distances ranging from 3.01–3.12 Å. Ta is bonded in a distorted linear geometry to four equivalent Cu and two equivalent S atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Ta–Cu bond lengths. Both Ta–S bond lengths are 2.31 Å. Cu is bonded in a 6-coordinate geometry to two equivalent Rb and four equivalent Ta atoms. S is bonded in a 4-coordinate geometry to three equivalent Rb and one Ta atom.