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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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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaLiAs by Materials Project

LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is beta Sn structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr atoms to form a mixture of distorted edge and corner-sharing SrSr6 pentagonal pyramids. There are four shorter (3.86 Å) and two longer (4.00 Å) Sr–Sr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiInSe2 by Materials Project

LiInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.83 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In–Se bond lengths are 2.79 Å. Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeLi3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg by Materials Project

CeMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. All Mg–Ce bond lengths are 3.32 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPrO2 by Materials Project

LiPrO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with five equivalent PrO7 pentagonal bipyramids, corners with four equivalent LiO4 trigonal pyramids, edges with three equivalent PrO7 pentagonal bipyramids, and a faceface with one PrO7 pentagonal bipyramid. There are a spread of Li–O bond distances ranging from 1.93–2.14 Å. Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share corners with four equivalent PrO7 pentagonal bipyramids, corners with five equivalent LiO4 trigonal pyramids, edges with seven equivalent PrO7 pentagonal bipyramids, edges with three equivalent LiO4 trigonal pyramids, and a faceface with one LiO4 trigonal pyramid. There are a spread of Pr–O bond distances ranging from 2.40–2.57 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Pr3+ atoms to form a mixture of distorted face, edge, and corner-sharing OLi2Pr4 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and three equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAs by Materials Project

PrAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing PrAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–As bond lengths are 3.05 Å. As3- is bonded to six equivalent Pr3+ atoms to form a mixture of corner and edge-sharing AsPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSbRh by Materials Project

ThRhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Th is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing ThSb6Rh4 tetrahedra. All Th–Rh bond lengths are 2.91 Å. All Th–Sb bond lengths are 3.36 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.91 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Th and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on USbRh by Materials Project

URhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing USb6Rh4 tetrahedra. All U–Rh bond lengths are 2.83 Å. All U–Sb bond lengths are 3.27 Å. Rh is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.83 Å. Sb is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(SiRh)2 by Materials Project

YbRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.16 Å. Rh3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RhSi4 tetrahedra. All Rh–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrS by Materials Project

SrS is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Sr–S bond lengths are 3.18 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbS2 by Materials Project

TbS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb4+ is bonded in a 12-coordinate geometry to twelve equivalent S2- atoms. All Tb–S bond lengths are 3.24 Å. S2- is bonded to six equivalent Tb4+ and six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing STb6S6 cuboctahedra. All S–S bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb by Materials Project

Sb is Copper structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Sb sheets oriented in the (0, 0, 1) direction. Sb is bonded in a square co-planar geometry to four equivalent Sb atoms. All Sb–Sb bond lengths are 3.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmS2 by Materials Project

TmS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Tm–S bond lengths are 3.22 Å. S+1.50- is bonded to six equivalent Tm3+ and six equivalent S+1.50- atoms to form a mixture of corner, edge, and face-sharing STm6S6 cuboctahedra. All S–S bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSb by Materials Project

ThSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Sb atoms. All Th–Sb bond lengths are 3.34 Å. Sb is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSb by Materials Project

ZrSb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded to five Sb3- atoms to form ZrSb5 trigonal bipyramids that share corners with eight equivalent ZrSb7 pentagonal bipyramids, corners with six equivalent ZrSb5 trigonal bipyramids, edges with four equivalent ZrSb7 pentagonal bipyramids, and faces with two equivalent ZrSb7 pentagonal bipyramids. There are a spread of Zr–Sb bond distances ranging from 2.87–3.04 Å. In the second Zr3+ site, Zr3+ is bonded to seven Sb3- atoms to form distorted ZrSb7 pentagonal bipyramids that share corners with six equivalent ZrSb7 pentagonal bipyramids, corners with four equivalent ZrSb5 trigonal bipyramids, edges with five equivalent ZrSb7 pentagonal bipyramids, edges with two equivalent ZrSb5 trigonal bipyramids, faces with three equivalent ZrSb7 pentagonal bipyramids, and a faceface with one ZrSb5 trigonal bipyramid. There are a spread of Zr–Sb bond distances ranging from 2.96–3.13 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to seven Zr3+ atoms. In the second Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Zr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc by Materials Project

Sc is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. All Sc–Sc bond lengths are 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSe by Materials Project

SmSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm2+ is bonded to four equivalent Se2- atoms to form corner-sharing SmSe4 tetrahedra. All Sm–Se bond lengths are 2.84 Å. Se2- is bonded to four equivalent Sm2+ atoms to form corner-sharing SeSm4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaTl3Se4 by Materials Project

Tl3TaSe4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Tl3TaSe4 frameworks. Ta5+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Ta–Se bond lengths are 2.42 Å. Tl1+ is bonded in a 8-coordinate geometry to four equivalent Se2- atoms. All Tl–Se bond lengths are 3.29 Å. Se2- is bonded in a distorted single-bond geometry to one Ta5+ and three equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗