Materials Data on Rb7NaZn2O6 by Materials Project

Abstract

Rb7NaZn2O6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–2.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–3.39 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–3.49 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.32 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.28 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–2.85 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.23 Å. Na1+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.53 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–1.94 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.93–1.95 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+, one Na1+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Na1+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+, one Na1+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+, one Na1+, and one Zn2+ atom.