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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdSe by Materials Project

NdSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing NdSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Se bond lengths are 2.99 Å. Se2- is bonded to six equivalent Nd2+ atoms to form a mixture of corner and edge-sharing SeNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Se4 by Materials Project

Nd3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Nd+2.67+ is bonded to eight equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.18 Å) Nd–Se bond lengths. Se2- is bonded to six equivalent Nd+2.67+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSe2 by Materials Project

NdSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Nd–Se bond distances ranging from 3.06–3.15 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.95 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted corner and edge-sharing SeNd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗