Materials Data on RbNiC2BrN2 by Materials Project

Abstract

NiRb2NiC4(N2Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one Rb2NiC4(N2Br)2 framework. In the Rb2NiC4(N2Br)2 framework, Rb1+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Rb–Br bond lengths are 3.56 Å. Ni2+ is bonded in a distorted octahedral geometry to four equivalent N3- and two equivalent Br1- atoms. All Ni–N bond lengths are 2.00 Å. Both Ni–Br bond lengths are 2.72 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C2+ atom. Br1- is bonded to four equivalent Rb1+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing BrRb4Ni square pyramids.