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DOE OSTI2020

Materials Data on BeCN2 by Materials Project

BeCN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with four equivalent BeN4 tetrahedra and corners with eight equivalent CN4 tetrahedra. All Be–N bond lengths are 1.70 Å. C4+ is bonded to four equivalent N3- atoms to form CN4 tetrahedra that share corners with four equivalent CN4 tetrahedra and corners with eight equivalent BeN4 tetrahedra. All C–N bond lengths are 1.50 Å. N3- is bonded to two equivalent Be2+ and two equivalent C4+ atoms to form corner-sharing NBe2C2 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Be(CN)2 by Materials Project

Be(CN)2 is Tungsten structured and crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of two Be(CN)2 clusters. Be2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Be–N bond lengths are 1.69 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Be2+ and one C2+ atom.

36 MATERIALS SCIENCE↗