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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmN by Materials Project

TmN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–N bond lengths are 2.41 Å. N3- is bonded to six equivalent Tm3+ atoms to form a mixture of corner and edge-sharing NTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2N3 by Materials Project

Tm2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Tm–N bond lengths are 2.31 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Tm–N bond distances ranging from 2.29–2.36 Å. N2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing NTm4 tetrahedra.

36 MATERIALS SCIENCE↗