Materials Data on Mg6VC by Materials Project
Mg6VC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to one Mg and two equivalent C atoms. The Mg–Mg bond length is 3.29 Å. Both Mg–C bond lengths are 2.48 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.09 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, two equivalent V, and one C atom. The Mg–Mg bond length is 3.23 Å. Both Mg–V bond lengths are 2.83 Å. The Mg–C bond length is 2.78 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to six Mg and two equivalent V atoms. Both Mg–Mg bond lengths are 3.09 Å. Both Mg–V bond lengths are 3.02 Å. V is bonded in a water-like geometry to six Mg and two equivalent C atoms. Both V–C bond lengths are 1.92 Å. C is bonded in a 2-coordinate geometry to six Mg and two equivalent V atoms.