Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “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.

At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3ThF7 by Materials Project

Li3ThF7 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form corner-sharing LiF4 tetrahedra. All Li–F bond lengths are 1.89 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent LiF4 tetrahedra, corners with four equivalent LiF5 trigonal bipyramids, and an edgeedge with one LiF5 trigonal bipyramid. There are a spread of Li–F bond distances ranging from 2.01–2.11 Å. Th4+ is bonded in a 5-coordinate geometry to five F1- atoms. There are one shorter (2.15 Å) and four longer (2.25 Å) Th–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Li1+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Th4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThP7 by Materials Project

ThP7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten P+0.57- atoms. There are a spread of Th–P bond distances ranging from 2.94–3.20 Å. There are seven inequivalent P+0.57- sites. In the first P+0.57- site, P+0.57- is bonded in a 5-coordinate geometry to one Th4+ and two P+0.57- atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) P–P bond lengths. In the second P+0.57- site, P+0.57- is bonded to two equivalent Th4+ and two P+0.57- atoms to form distorted PTh2P2 trigonal pyramids that share corners with seven PThP3 tetrahedra, corners with five PTh2P2 trigonal pyramids, an edgeedge with one PThP3 tetrahedra, and an edgeedge with one PTh2P2 trigonal pyramid. There are one shorter (2.20 Å) and one longer (2.26 Å) P–P bond lengths. In the third P+0.57- site, P+0.57- is bonded to one Th4+ and three P+0.57- atoms to form PThP3 tetrahedra that share corners with five PThP3 tetrahedra and corners with four PTh2P2 trigonal pyramids. The P–P bond length is 2.22 Å. In the fourth P+0.57- site, P+0.57- is bonded in a 3-coordinate geometry to one Th4+ and two P+0.57- atoms. The P–P bond length is 2.23 Å. In the fifth P+0.57- site, P+0.57- is bonded to two equivalent Th4+ and two P+0.57- atoms to form distorted PTh2P2 trigonal pyramids that share corners with seven PThP3 tetrahedra, corners with five PTh2P2 trigonal pyramids, an edgeedge with one PTh2P2 tetrahedra, and an edgeedge with one PTh2P2 trigonal pyramid. The P–P bond length is 2.22 Å. In the sixth P+0.57- site, P+0.57- is bonded to one Th4+ and three P+0.57- atoms to form PThP3 tetrahedra that share corners with four PThP3 tetrahedra, corners with three PTh2P2 trigonal pyramids, and an edgeedge with one PTh2P2 trigonal pyramid. The P–P bond length is 2.24 Å. In the seventh P+0.57- site, P+0.57- is bonded to two equivalent Th4+ and two P+0.57- atoms to form PTh2P2 tetrahedra that share corners with seven PThP3 tetrahedra, corners with seven PTh2P2 trigonal pyramids, and an edgeedge with one PTh2P2 trigonal pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThTa2O7 by Materials Project

ThTa2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.40–2.85 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with two equivalent TaO6 octahedra, a cornercorner with one TaO7 pentagonal bipyramid, an edgeedge with one TaO6 octahedra, and an edgeedge with one TaO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 22°. There are a spread of Ta–O bond distances ranging from 1.93–2.12 Å. In the second Ta5+ site, Ta5+ is bonded to seven O2- atoms to form TaO7 pentagonal bipyramids that share a cornercorner with one TaO6 octahedra, corners with two equivalent TaO7 pentagonal bipyramids, an edgeedge with one TaO6 octahedra, and an edgeedge with one TaO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ta–O bond distances ranging from 1.98–2.21 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Th4+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded to three equivalent Th4+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OTh3Ta tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Th4+ and one Ta5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+ and two Ta5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThB2O5 by Materials Project

ThB2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded to eight O2- atoms to form distorted edge-sharing ThO8 hexagonal bipyramids. There are a spread of Th–O bond distances ranging from 2.35–2.64 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSnI6 by Materials Project

ThSnI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent SnI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Th–I bond lengths are 3.08 Å. Sn2+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sn–I bond lengths are 3.22 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Th4+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaThBr6 by Materials Project

CaThBr6 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of two CaThBr6 sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ca–Br bond distances ranging from 2.85–3.19 Å. Th4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Th–Br bond distances ranging from 2.93–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ca2+ atoms. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent Th4+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Th4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrThBr6 by Materials Project

SrThBr6 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of two SrThBr6 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.00–3.26 Å. Th4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Th–Br bond distances ranging from 2.95–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent Th4+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Sr2+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Th4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThTl3F7 by Materials Project

ThTl3F7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.28–2.55 Å. There are five inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Tl–F bond distances ranging from 2.43–2.86 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.13 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.14 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.14 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.14 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Th4+ and two Tl1+ atoms to form distorted FTh2Tl2 tetrahedra that share corners with four FTl6 octahedra, corners with two equivalent FTh2Tl2 tetrahedra, an edgeedge with one FTl6 octahedra, and an edgeedge with one FTh2Tl2 tetrahedra. The corner-sharing octahedra tilt angles range from 12–61°. In the second F1- site, F1- is bonded to six Tl1+ atoms to form FTl6 octahedra that share corners with four equivalent FTh2Tl2 tetrahedra, edges with two equivalent FTl6 octahedra, edges with two equivalent FTh2Tl2 tetrahedra, and faces with two equivalent FTl6 octahedra. In the third F1- site, F1- is bonded to six Tl1+ atoms to form distorted FTl6 octahedra that share corners with four equivalent FTh2Tl2 tetrahedra and faces with two equivalent FTl6 octahedra. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Th4+ and two Tl1+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Th4+ and two Tl1+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to one Th4+ and three Tl1+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Th4+ and three Tl1+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Th4+ and two Tl1+ atoms. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Th4+ and two Tl1+ atoms. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to one Th4+ and three Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThZr2F12 by Materials Project

ThZr2F12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.35–2.43 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.09–2.31 Å. In the second Zr4+ site, Zr4+ is bonded to seven F1- atoms to form distorted corner-sharing ZrF7 pentagonal bipyramids. There are a spread of Zr–F bond distances ranging from 2.05–2.15 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Th4+ and one Zr4+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Th4+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Zr4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one Zr4+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to two Zr4+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to one Th4+ and one Zr4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2AuF11 by Materials Project

Th2AuF11 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.33–2.59 Å. Au3+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Au–F bond lengths are 1.95 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one Au3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaTh2F9 by Materials Project

NaTh2F9 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are two shorter (2.31 Å) and four longer (2.50 Å) Na–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.26–2.52 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeThO4 by Materials Project

ThCeO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Th–O bond lengths are 2.41 Å. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.39 Å. O2- is bonded to two equivalent Th4+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Th2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3As4 by Materials Project

Th3As4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing ThAs8 hexagonal bipyramids. There are four shorter (3.04 Å) and four longer (3.12 Å) Th–As bond lengths. As3- is bonded to six equivalent Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThTi2O6 by Materials Project

ThTi2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.33–2.66 Å. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.88–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Th4+ and two equivalent Ti4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGeO4 by Materials Project

ThGeO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.50 Å) Th–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2ThF6 by Materials Project

Na2ThF6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.35 Å) and three longer (2.47 Å) Na–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.28 Å) and six longer (2.47 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing FNa2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Th4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThPbI6 by Materials Project

ThPbI6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent PbI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Th–I bond lengths are 3.08 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–I bond lengths are 3.27 Å. I1- is bonded in a 2-coordinate geometry to one Th4+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThP2O7 by Materials Project

ThP2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Th4+ is bonded to six equivalent O2- atoms to form ThO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Th–O bond lengths are 2.30 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent ThO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There is three shorter (1.53 Å) and one longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Th4+ and one P5+ atom.

36 MATERIALS SCIENCE↗