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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm2(CN2)3 by Materials Project

Sm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sm–N bond distances ranging from 2.41–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Sm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NSm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(C2N3)3 by Materials Project

Sm(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to nine N3- atoms. There are a spread of Sm–N bond distances ranging from 2.47–3.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one Sm3+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one Sm3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Sm3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one C4+ atom.

36 MATERIALS SCIENCE↗