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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnNF3 by Materials Project

(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Mn–F bond distances ranging from 1.89–2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

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Materials Data on Na2EuCuCl6 by Materials Project

(Na)2EuCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one EuCuCl6 framework. In the EuCuCl6 framework, Eu3+ is bonded to six equivalent Cl1- atoms to form EuCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Cl bond lengths are 2.72 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent EuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.46 Å. Cl1- is bonded in a linear geometry to one Eu3+ and one Cu1+ atom.

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Materials Data on Ba2VFeO6 by Materials Project

(BaO3)2VFe is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules, four vanadium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.31 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.

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Materials Data on K3ScI6 by Materials Project

(K)2KScI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one KScI6 framework. In the KScI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.34 Å. Sc3+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–I bond lengths are 2.89 Å. I1- is bonded in a linear geometry to one K1+ and one Sc3+ atom.

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Materials Data on ZrCuF6 by Materials Project

CuZrF6 is High-temperature superconductor-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Zr4+ is bonded to six F1- atoms to form ZrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.03 Å) and three longer (2.04 Å) Zr–F bond lengths. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.03 Å) and three longer (2.04 Å) Cu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom.

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Materials Data on Mn6Ga2CN by Materials Project

(Mn3Ga)4(C)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule, one methane molecule, and one Mn3Ga framework. In the Mn3Ga framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.36 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.34 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.35 Å. Ga is bonded to six Mn atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

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Materials Data on CsK2AsCl6 by Materials Project

(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.

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Materials Data on Li2CuIrF6 by Materials Project

(Li)2IrCuF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one IrCuF6 framework. In the IrCuF6 framework, Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 2.05 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a linear geometry to one Ir3+ and one Cu1+ atom.

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Materials Data on Zn3Co2(CN)12 by Materials Project

Zn(CoZn(CN)6)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one CoZn(CN)6 framework and one zinc molecule. In the CoZn(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Zn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Zn–N bond distances ranging from 2.08–2.17 Å. There are three inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C+2.17+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C+2.17+ atom.

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Materials Data on K2RbTbCl6 by Materials Project

(K)2RbTbCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one RbTbCl6 framework. In the RbTbCl6 framework, Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent TbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.10 Å. Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent RbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.64 Å. Cl1- is bonded in a linear geometry to one Rb1+ and one Tb3+ atom.

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Materials Data on MnNF3 by Materials Project

(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Mn–F bond distances ranging from 1.89–2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

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Materials Data on K2TlInI6 by Materials Project

(K)2TlInI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlInI6 framework. In the TlInI6 framework, Tl1+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.31 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.95 Å. I1- is bonded in a linear geometry to one Tl1+ and one In3+ atom.

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Materials Data on Rb3LaCl6 by Materials Project

(Rb)2RbLaCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one RbLaCl6 framework. In the RbLaCl6 framework, Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent LaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.13 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent RbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.77 Å. Cl1- is bonded in a linear geometry to one Rb1+ and one La3+ atom.

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Materials Data on Na3ErCl6 by Materials Project

(Na)2NaErCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaErCl6 framework. In the NaErCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Er3+ atom.

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Materials Data on Rb3LaBr6 by Materials Project

(Rb)2RbLaBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight unii-mlt4718tjw molecules and one RbLaBr6 framework. In the RbLaBr6 framework, Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent LaBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.28 Å. La3+ is bonded to six equivalent Br1- atoms to form LaBr6 octahedra that share corners with six equivalent RbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Br bond lengths are 2.93 Å. Br1- is bonded in a linear geometry to one Rb1+ and one La3+ atom.

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Materials Data on Na2LiCeCl6 by Materials Project

(Na)2LiCeCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one LiCeCl6 framework. In the LiCeCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.53 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Ce3+ atom.

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Materials Data on TaO2F by Materials Project

TaO2F is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing TaO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.94 Å. Both Ta–F bond lengths are 2.05 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. F1- is bonded in a linear geometry to two equivalent Ta5+ atoms.

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Materials Data on Fe(NF2)3 by Materials Project

FeNF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one FeNF6 framework. In the FeNF6 framework, Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.99 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.87 Å. F1- is bonded in a linear geometry to one Fe3+ and one N1+ atom.

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