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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnSbIr by Materials Project

IrMnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Ir and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing MnSb6Ir4 tetrahedra. All Mn–Ir bond lengths are 2.65 Å. All Mn–Sb bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Ir–Sb bond lengths are 2.65 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2Ir by Materials Project

IrP2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir4+ is bonded to six P2- atoms to form IrP6 octahedra that share corners with eight equivalent IrP6 octahedra, corners with six PPIr3 tetrahedra, and edges with two equivalent IrP6 octahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are a spread of Ir–P bond distances ranging from 2.34–2.43 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 67–71°. The P–P bond length is 2.24 Å. In the second P2- site, P2- is bonded to three equivalent Ir4+ and one P2- atom to form PPIr3 tetrahedra that share corners with three equivalent IrP6 octahedra, corners with thirteen PPIr3 tetrahedra, and an edgeedge with one PPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–78°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K by Materials Project

K is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent K atoms to form a mixture of edge, corner, and face-sharing KK12 cuboctahedra. All K–K bond lengths are 4.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Sb by Materials Project

K3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. All K–K bond lengths are 3.71 Å. In the second K1+ site, K1+ is bonded to four equivalent K1+ and four equivalent Sb3- atoms to form a mixture of corner, edge, and face-sharing KK4Sb4 tetrahedra. All K–Sb bond lengths are 3.71 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KZnSb by Materials Project

KZnSb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All K–Sb bond lengths are 3.79 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.64 Å. Sb3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Si2 by Materials Project

La3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent La+2.67+ sites. In the first La+2.67+ site, La+2.67+ is bonded in a hexagonal planar geometry to six equivalent Si4- atoms. There are four shorter (3.21 Å) and two longer (3.28 Å) La–Si bond lengths. In the second La+2.67+ site, La+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All La–Si bond lengths are 3.22 Å. Si4- is bonded in a 9-coordinate geometry to eight La+2.67+ and one Si4- atom. The Si–Si bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaAlTe2 by Materials Project

NaAlTe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All Na–Te bond lengths are 3.52 Å. Al3+ is bonded to four equivalent Te2- atoms to form edge-sharing AlTe4 tetrahedra. All Al–Te bond lengths are 2.67 Å. Te2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaGaTe2 by Materials Project

NaGaTe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All Na–Te bond lengths are 3.51 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KAlTe2 by Materials Project

KAlTe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to two equivalent K1+ and eight equivalent Te2- atoms. Both K–K bond lengths are 3.51 Å. All K–Te bond lengths are 3.72 Å. Al3+ is bonded to four equivalent Te2- atoms to form edge-sharing AlTe4 tetrahedra. All Al–Te bond lengths are 2.67 Å. Te2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaAlSe2 by Materials Project

NaAlSe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. All Na–Se bond lengths are 3.28 Å. Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a 2-coordinate geometry to four equivalent Na1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3SbS4 by Materials Project

Na3SbS4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.97 Å) and four longer (3.48 Å) Na–S bond lengths. Sb5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.37 Å. S2- is bonded to six equivalent Na1+ and one Sb5+ atom to form a mixture of distorted corner, edge, and face-sharing SNa6Sb trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3O by Materials Project

Zr3O is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Zr is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.29 Å. O is bonded to six equivalent Zr atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na by Materials Project

Na is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Na atoms to form a mixture of edge, face, and corner-sharing NaNa12 cuboctahedra. There are six shorter (3.73 Å) and six longer (3.76 Å) Na–Na bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li by Materials Project

Li is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Li atoms to form a mixture of corner, edge, and face-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.08 Å) Li–Li bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCdF3 by Materials Project

KCdF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent CdF6 octahedra. All K–F bond lengths are 3.16 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent CdF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–F bond lengths are 2.24 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSb by Materials Project

LaSb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All La–Sb bond lengths are 3.43 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMgP by Materials Project

LiMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Mg2+ and four equivalent P3- atoms to form distorted LiMg4P4 tetrahedra that share corners with twelve equivalent PLi4Mg6 tetrahedra, edges with twelve equivalent LiMg4P4 tetrahedra, and faces with four equivalent PLi4Mg6 tetrahedra. All Li–Mg bond lengths are 2.50 Å. All Li–P bond lengths are 2.50 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Mg–P bond lengths are 2.89 Å. P3- is bonded to four equivalent Li1+ and six equivalent Mg2+ atoms to form distorted PLi4Mg6 tetrahedra that share corners with six equivalent PLi4Mg6 tetrahedra, corners with twelve equivalent LiMg4P4 tetrahedra, faces with four equivalent LiMg4P4 tetrahedra, and faces with twelve equivalent PLi4Mg6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMgSbPd by Materials Project

LiMgPdSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Mg, six equivalent Pd, and four equivalent Sb atoms. All Li–Mg bond lengths are 2.84 Å. All Li–Pd bond lengths are 3.28 Å. All Li–Sb bond lengths are 2.84 Å. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Li, four equivalent Pd, and six equivalent Sb atoms. All Mg–Pd bond lengths are 2.84 Å. All Mg–Sb bond lengths are 3.28 Å. Pd is bonded in a 8-coordinate geometry to six equivalent Li, four equivalent Mg, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. Sb is bonded in a 8-coordinate geometry to four equivalent Li, six equivalent Mg, and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗