Materials Data on Rb2NiAs2 by Materials Project

Abstract

Rb2NiAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are four shorter (3.63 Å) and two longer (3.64 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.50 Å) and four longer (3.81 Å) Rb–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.38 Å. As2- is bonded in a 9-coordinate geometry to six Rb1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.45 Å.