Materials Data on Na3(CO4)2 by Materials Project

Abstract

Na3(CO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.82 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to three equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one C atom. In the third O site, O is bonded in a distorted T-shaped geometry to two Na and one C atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Na and one C atom.