Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ce-S-Th”

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 Ce2ThS3 by Materials Project

ThCe2S3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent ThS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–S bond lengths are 2.86 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with three equivalent ThS6 octahedra, corners with three equivalent CeS6 octahedra, edges with three equivalent ThS6 octahedra, and edges with nine equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.84 Å) and three longer (2.85 Å) Ce–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of edge and corner-sharing SCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to six equivalent Ce atoms to form a mixture of edge and corner-sharing SCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeThS2 by Materials Project

ThCeS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded to six S atoms to form ThS6 octahedra that share corners with six equivalent ThS6 octahedra, edges with four equivalent ThS6 octahedra, and edges with eight equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–S bond lengths are 2.85 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with four equivalent CeS6 octahedra, and edges with eight equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–S bond lengths are 2.85 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Th and two equivalent Ce atoms to form a mixture of edge and corner-sharing SCe2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to two equivalent Th and four equivalent Ce atoms to form SCe4Th2 octahedra that share corners with six equivalent SCe4Th2 octahedra and edges with twelve SCe2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2ThS5 by Materials Project

ThCe2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded to seven S2- atoms to form distorted edge-sharing ThS7 pentagonal bipyramids. There are a spread of Th–S bond distances ranging from 2.74–2.90 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.10 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Th4+ and two equivalent Ce3+ atoms to form distorted SCe2Th2 trigonal pyramids that share corners with six SCe4Th square pyramids, corners with two equivalent SCe4Th trigonal bipyramids, corners with six equivalent SCe2Th2 trigonal pyramids, edges with three SCe4Th square pyramids, edges with two equivalent SCe4Th trigonal bipyramids, and an edgeedge with one SCe2Th2 trigonal pyramid. In the second S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form distorted SCe4Th trigonal bipyramids that share corners with six SCe4Th square pyramids, corners with four equivalent SCe4Th trigonal bipyramids, corners with four equivalent SCe2Th2 trigonal pyramids, edges with six SCe4Th square pyramids, and edges with four equivalent SCe2Th2 trigonal pyramids. In the third S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form SCe4Th square pyramids that share corners with four equivalent SCe4Th square pyramids, corners with five equivalent SCe4Th trigonal bipyramids, corners with eight equivalent SCe2Th2 trigonal pyramids, edges with three SCe4Th square pyramids, edges with two equivalent SCe4Th trigonal bipyramids, edges with two equivalent SCe2Th2 trigonal pyramids, and a faceface with one SCe4Th square pyramid. In the fourth S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form distorted SCe4Th square pyramids that share corners with eight SCe4Th square pyramids, a cornercorner with one SCe4Th trigonal bipyramid, corners with four equivalent SCe2Th2 trigonal pyramids, an edgeedge with one SCe4Th square pyramid, edges with four equivalent SCe4Th trigonal bipyramids, edges with four equivalent SCe2Th2 trigonal pyramids, and a faceface with one SCe4Th square pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeTh2S3 by Materials Project

Th2CeS3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th is bonded to six S atoms to form ThS6 octahedra that share corners with three equivalent ThS6 octahedra, corners with three equivalent CeS6 octahedra, edges with three equivalent CeS6 octahedra, and edges with nine equivalent ThS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (2.86 Å) and three longer (2.87 Å) Th–S bond lengths. Ce is bonded to six equivalent S atoms to form CeS6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent ThS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ce–S bond lengths are 2.85 Å. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of edge and corner-sharing SCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing STh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗