Materials Data on Rb3YbN6 by Materials Project

Abstract

Rb3YbN6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first 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 3.04–3.41 Å. 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 3.01–3.34 Å. In the third 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 2.92–3.44 Å. Yb3+ is bonded in an octahedral geometry to six N1- atoms. There are a spread of Yb–N bond distances ranging from 2.34–2.44 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the third N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the fourth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the fifth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the sixth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom.