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DOE OSTI2020

Materials Data on Mg2C3 by Materials Project

Mg2C3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Mg2+ is bonded in a 3-coordinate geometry to five C+1.33- atoms. There are a spread of Mg–C bond distances ranging from 2.21–2.47 Å. There are two inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent C+1.33- atoms. Both C–C bond lengths are 1.33 Å. In the second C+1.33- site, C+1.33- is bonded to four equivalent Mg2+ and one C+1.33- atom to form a mixture of distorted corner and edge-sharing CMg4C trigonal bipyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MgC2 by Materials Project

MgC2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded in a distorted linear geometry to six equivalent C1- atoms. There are two shorter (2.17 Å) and four longer (2.57 Å) Mg–C bond lengths. C1- is bonded in a 2-coordinate geometry to three equivalent Mg2+ and one C1- atom. The C–C bond length is 1.26 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MgC by Materials Project

MgC is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Mg–C bond lengths are 2.43 Å. C2- is bonded in a body-centered cubic geometry to eight equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗