Materials Data on Na3MgC2BrO6 by Materials Project

Abstract

Na3MgC2O6Br crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.48 Å) and four longer (2.66 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.04 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom. Br1- is bonded in a 6-coordinate geometry to six equivalent Na1+ atoms.