Materials Data on Na2CO5 by Materials Project

Abstract

Na2CO5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Na2CO5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.69 Å. In the second Na site, Na is bonded in a distorted T-shaped geometry to three O atoms. There are two shorter (2.23 Å) and one longer (2.31 Å) Na–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Na and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a 1-coordinate geometry to two Na and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to two Na and one C atom.