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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmSe by Materials Project

TmSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing TmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Se bond lengths are 2.84 Å. Se is bonded to six equivalent Tm atoms to form a mixture of edge and corner-sharing SeTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Se3 by Materials Project

Tm2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing TmSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Tm–Se bond distances ranging from 2.82–2.86 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Tm–Se bond distances ranging from 2.83–2.85 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms.

36 MATERIALS SCIENCE↗