Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “TmSe2”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb(TmSe2)2 by Materials Project

Yb(TmSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven Se2- atoms to form distorted YbSe7 pentagonal bipyramids that share corners with eight TmSe6 octahedra, edges with five TmSe6 octahedra, edges with two equivalent YbSe7 pentagonal bipyramids, and faces with two equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–66°. There are a spread of Yb–Se bond distances ranging from 2.97–3.12 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with three equivalent TmSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with six TmSe6 octahedra, and an edgeedge with one YbSe7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Tm–Se bond distances ranging from 2.81–2.91 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with three equivalent TmSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with four TmSe6 octahedra, and edges with four equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Tm–Se bond distances ranging from 2.81–2.87 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2Tm3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form SeYb2Tm3 square pyramids that share corners with two equivalent SeYb3Tm2 square pyramids, corners with two equivalent SeYb2Tm3 trigonal bipyramids, edges with five SeYb2Tm3 square pyramids, and edges with three equivalent SeYb2Tm3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to three equivalent Yb2+ and two equivalent Tm3+ atoms to form a mixture of edge and corner-sharing SeYb3Tm2 square pyramids. In the fourth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(TmSe2)2 by Materials Project

Yb(TmSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent TmSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.96 Å) Yb–Se bond lengths. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.80 Å) and four longer (2.87 Å) Tm–Se bond lengths. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six TmSe6 octahedra. There are four shorter (2.84 Å) and two longer (2.85 Å) Tm–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form a mixture of corner and edge-sharing SeYb2Tm3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(TmSe2)2 by Materials Project

Ba(TmSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.33–3.49 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Tm–Se bond distances ranging from 2.82–2.91 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Tm–Se bond distances ranging from 2.81–2.88 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ba2+ and three equivalent Tm3+ atoms to form a mixture of distorted corner and edge-sharing SeBa2Tm3 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Tm3+ atoms. In the third Se2- site, Se2- is bonded to two equivalent Ba2+ and three equivalent Tm3+ atoms to form a mixture of distorted corner and edge-sharing SeBa2Tm3 square pyramids. In the fourth Se2- site, Se2- is bonded to two equivalent Ba2+ and three Tm3+ atoms to form a mixture of distorted corner and edge-sharing SeBa2Tm3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSe2 by Materials Project

TmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Tm–Se bond distances ranging from 2.92–3.03 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 Tm3+ 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 Tm3+ atoms to form a mixture of distorted edge and corner-sharing SeTm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗