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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg(C2N3)2 by Materials Project

Mg(C2N3)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.13 Å) and two longer (2.31 Å) Mg–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a linear geometry to one Mg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCN2 by Materials Project

MgCN2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Mg–N bond lengths are 2.09 Å. C4+ is bonded to four equivalent N3- atoms to form corner-sharing CN4 tetrahedra. All C–N bond lengths are 1.51 Å. N3- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent C4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(CN)2 by Materials Project

Mg(CN)2 is Tungsten structured and crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of two Mg(CN)2 clusters. Mg2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Mg–N bond lengths are 2.05 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Mg2+ and one C2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCN2 by Materials Project

MgCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form edge-sharing MgN6 octahedra. All Mg–N bond lengths are 2.22 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded to three equivalent Mg2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NMg3C trigonal pyramids.

36 MATERIALS SCIENCE↗