Materials Data on Rb3NdN6 by Materials Project
Rb3NdN6 crystallizes in the trigonal R32 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 N1- atoms. There are two shorter (3.04 Å) and four longer (3.15 Å) Rb–N bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.55 Å. Nd3+ is bonded in an octahedral geometry to six N1- atoms. All Nd–N bond lengths are 2.38 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 4-coordinate geometry to three Rb1+ and one Nd3+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Nd3+ atom.