Materials Data on Mg(CO3)2 by Materials Project

Abstract

Mg(CO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.15 Å. In the second Mg site, Mg is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.18 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.27 Å) and two longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.29 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the second O site, O is bonded in a linear geometry to one Mg and one C atom. In the third O site, O is bonded in a linear geometry to one Mg and one C atom. In the fourth O site, O is bonded in an L-shaped geometry to one Mg and one C atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one C atom. In the sixth O site, O is bonded in an L-shaped geometry to one Mg and one C atom.