Materials Data on Rb2NiAs2 by Materials Project

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.

Rb₂NiAs₂（二砷化二铷镍）结晶于正交晶系Cmcm空间群。该结构为三维空间结构，存在两个不等价的铷离子（Rb⁺）位点。在第一个铷离子位点中，铷离子以六配位几何构型与六个等价的砷离子（As²⁻）成键，Rb–As键长包含四个较短的3.63 Å与两个较长的3.64 Å。在第二个铷离子位点中，铷离子同样以六配位几何构型与六个等价的砷离子成键，Rb–As键长包含两个较短的3.50 Å与四个较长的3.81 Å。镍离子（Ni²⁺）以畸变的矩形跷跷板型配位几何与四个等价的砷离子成键，所有Ni–As键长均为2.38 Å。砷离子（As²⁻）以九配位几何构型与六个铷离子、两个等价的镍离子以及一个砷离子成键，As–As键长为2.45 Å。