Materials Data on Rb2NbCuS2 by Materials Project
Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.
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