DOI: 10.17188/1271260
title: Materials Data on RbNa5Be8O11 by Materials Project

description: RbNa5Be8O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.02 Å) and one longer (2.51 Å) Rb–O bond lengths. There are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.76 Å) and one longer (1.92 Å) Na–O bond length. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to one Be2+ and four O2- atoms. The Na–Be bond length is 1.77 Å. There are a spread of Na–O bond distances ranging from 1.75–2.12 Å. In the third Na1+ site, Na1+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.56 Å) and one longer (1.85 Å) Na–O bond length. In the fourth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.86 Å) and one longer (2.19 Å) Na–O bond lengths. In the fifth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.68–1.98 Å. There are eight inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.40–2.11 Å. In the second Be2+ site, Be2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.51–1.74 Å. In the third Be2+ site, Be2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.06–1.53 Å. In the fourth Be2+ site, Be2+ is bonded in a 3-coordinate geometry to one Na1+ and three O2- atoms. There are a spread of Be–O bond distances ranging from 1.01–1.52 Å. In the fifth Be2+ site, Be2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.38–1.69 Å. In the sixth Be2+ site, Be2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.28–1.71 Å. In the seventh Be2+ site, Be2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.31–1.69 Å. In the eighth Be2+ site, Be2+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.43 Å) and one longer (1.67 Å) Be–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Na1+, and three Be2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two Be2+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Be2+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+ and three Be2+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Be2+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Be2+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Be2+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two Be2+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Be2+ atoms. In the eleventh O2- site, O2- is bonded in a distorted tetrahedral geometry to one Na1+ and three Be2+ atoms.