Materials Data on MgCO6 by Materials Project
MgCO6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two MgCO6 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a distorted rectangular see-saw-like geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.94–2.77 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.35 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.35 Å) and one longer (1.50 Å) O–O bond length. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Mg and two O atoms. The O–O bond length is 1.52 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Mg and one C atom. In the fifth O site, O is bonded in an L-shaped geometry to one Mg and one C atom. In the sixth O site, O is bonded in a water-like geometry to two O atoms.