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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 ThSe by Materials Project

ThSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing ThSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–Se bond lengths are 2.97 Å. Se is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing SeTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2Se5 by Materials Project

Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSe2 by Materials Project

ThSe2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Th–Se bond distances ranging from 2.94–3.41 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. In the second Se2- site, Se2- is bonded to four equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing SeTh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSe3 by Materials Project

ThSe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one ThSe3 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Th–Se bond distances ranging from 2.98–3.06 Å. There are three inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded to four equivalent Th4+ atoms to form a mixture of distorted corner and edge-sharing SeTh4 trigonal pyramids. In the second Se+1.33- site, Se+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ and one Se+1.33- atom. The Se–Se bond length is 2.39 Å. In the third Se+1.33- site, Se+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ and one Se+1.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Se by Materials Project

Th3Se is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (3.40 Å) and two longer (3.43 Å) Th–Se bond lengths. Se is bonded to twelve equivalent Th atoms to form a mixture of face and corner-sharing SeTh12 cuboctahedra.

36 MATERIALS SCIENCE↗