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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuSe by Materials Project

LuSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Se atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Se bond lengths are 2.82 Å. Se is bonded to six equivalent Lu atoms to form a mixture of corner and edge-sharing SeLu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSe2 by Materials Project

LuSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Lu–Se bond distances ranging from 2.90–3.02 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SeLu5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ atoms.

36 MATERIALS SCIENCE↗