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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Se3 by Materials Project

Er2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are four shorter (2.84 Å) and two longer (2.87 Å) Er–Se bond lengths. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ErSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Er–Se bond distances ranging from 2.83–2.87 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSe by Materials Project

ErSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Se atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Se bond lengths are 2.85 Å. Se is bonded to six equivalent Er atoms to form a mixture of corner and edge-sharing SeEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSe2 by Materials Project

ErSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Er–Se bond distances ranging from 2.95–3.04 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 Er3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.86 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing SeEr5 trigonal bipyramids.

36 MATERIALS SCIENCE↗