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31 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg(NiS2)4 by Materials Project

Mg(NiS2)4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S2- atoms to form MgS6 octahedra that share corners with six equivalent NiS6 octahedra and edges with six equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Mg–S bond lengths are 2.54 Å. There are two inequivalent Ni+3.50+ sites. In the first Ni+3.50+ site, Ni+3.50+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent MgS6 octahedra and edges with six equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ni–S bond lengths are 2.32 Å. In the second Ni+3.50+ site, Ni+3.50+ is bonded to six S2- atoms to form NiS6 octahedra that share edges with two equivalent MgS6 octahedra and edges with six NiS6 octahedra. There are four shorter (2.28 Å) and two longer (2.30 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Ni+3.50+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ni+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiS2 by Materials Project

NiS2 is Marcasite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ni4+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with four equivalent NiS6 octahedra, corners with three equivalent SNi3S tetrahedra, and edges with four equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Ni–S bond distances ranging from 2.35–2.37 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ni4+ and one S2- atom. The S–S bond length is 2.10 Å. In the second S2- site, S2- is bonded to three equivalent Ni4+ and one S2- atom to form distorted SNi3S tetrahedra that share corners with three equivalent NiS6 octahedra and corners with six equivalent SNi3S tetrahedra. The corner-sharing octahedra tilt angles range from 56–73°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeCo(NiS2)4 by Materials Project

FeCo(NiS2)4 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–S bond lengths are 2.11 Å. Co3+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Co–S bond lengths are 2.13 Å. Ni+2.50+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with three equivalent FeS4 tetrahedra, corners with three equivalent CoS4 tetrahedra, and edges with six equivalent NiS6 octahedra. There are three shorter (2.29 Å) and three longer (2.30 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Co3+ and three equivalent Ni+2.50+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Fe3+ and three equivalent Ni+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe(NiS2)2 by Materials Project

FeNi2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–S bond lengths are 2.12 Å. Ni+2.50+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent NiS6 octahedra. All Ni–S bond lengths are 2.30 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Fe3+ and three equivalent Ni+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(NiS2)2 by Materials Project

CoNi2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co4+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Co–S bond lengths are 2.13 Å. Ni2+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent NiS6 octahedra. All Ni–S bond lengths are 2.29 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+ and three equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(NiS2)2 by Materials Project

CoNi2S4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Co4+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with six equivalent NiS4 tetrahedra, edges with two equivalent CoS6 octahedra, and edges with four equivalent NiS6 octahedra. There are two shorter (2.24 Å) and four longer (2.25 Å) Co–S bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four S2- atoms to form NiS4 tetrahedra that share corners with six equivalent CoS6 octahedra and corners with six equivalent NiS6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are two shorter (2.17 Å) and two longer (2.19 Å) Ni–S bond lengths. In the second Ni2+ site, Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with six equivalent NiS4 tetrahedra, edges with two equivalent NiS6 octahedra, and edges with four equivalent CoS6 octahedra. There are four shorter (2.27 Å) and two longer (2.28 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Co4+ and three Ni2+ atoms to form a mixture of distorted edge and corner-sharing SCoNi3 trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent Co4+ and two Ni2+ atoms to form a mixture of distorted edge and corner-sharing SCo2Ni2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(NiS2)2 by Materials Project

CoNi2S4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Co4+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with four equivalent CoS6 octahedra, corners with four equivalent NiS6 octahedra, edges with four equivalent NiS6 octahedra, and faces with two equivalent NiS6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Co–S bond distances ranging from 2.19–2.45 Å. Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with two equivalent CoS6 octahedra, corners with eight equivalent NiS6 octahedra, edges with two equivalent CoS6 octahedra, edges with two equivalent NiS6 octahedra, and a faceface with one CoS6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of Ni–S bond distances ranging from 2.24–2.52 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Co4+ and three equivalent Ni2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Co4+ and three equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(NiS2)2 by Materials Project

CoNi2S4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Co4+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with four equivalent NiS6 octahedra, edges with two equivalent CoS6 octahedra, edges with four equivalent NiS6 octahedra, and faces with two equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.25 Å) and four longer (2.30 Å) Co–S bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with eight equivalent NiS6 octahedra, edges with two equivalent NiS6 octahedra, and edges with four equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.26 Å) and two longer (2.41 Å) Ni–S bond lengths. In the second Ni2+ site, Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with four equivalent CoS6 octahedra, corners with eight equivalent NiS6 octahedra, edges with two equivalent NiS6 octahedra, and faces with two equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.35 Å) and four longer (2.37 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Co4+ and three Ni2+ atoms to form distorted SCo2Ni3 square pyramids that share corners with five equivalent SCo2Ni3 square pyramids, corners with four equivalent SCoNi3 trigonal pyramids, edges with four equivalent SCo2Ni3 square pyramids, and edges with four equivalent SCoNi3 trigonal pyramids. In the second S2- site, S2- is bonded to one Co4+ and three Ni2+ atoms to form distorted SCoNi3 trigonal pyramids that share corners with four equivalent SCo2Ni3 square pyramids, corners with six equivalent SCoNi3 trigonal pyramids, edges with four equivalent SCo2Ni3 square pyramids, and an edgeedge with one SCoNi3 trigonal pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe(NiS2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(NiS2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiS2(NO7)2 by Materials Project

NiO6(NO)2(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four sulfur trioxide molecules, and two NiO6 clusters. In each NiO6 cluster, Ni is bonded in a distorted rectangular see-saw-like geometry to four O atoms. All Ni–O bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Ni and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.39 Å. In the third O site, O is bonded in an L-shaped geometry to one Ni and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

NucD-24 Nuclear Diagnostics Development: Time resolved 12 C-rhoR on GCD and NIS technology development for polar LOS and data quality [Slides]

The Neutron Imaging team is readying for the NIS2 polar LOS development and future improvements to data quality on all LOS given consistently higher yields at NIF. Next-gen nano guide scintillators for NIS2 and CMOS cameras to replace outdated CCDs will be studied. Digital image plates will be tested for better data quality on passive imaging systems. The transition into the ignition regime is expected to show a significant signature in the ablator areal density. In the marginal ignition regime, a decrease of 12C-rhoR (ablator areal density) is expected but once the burn propagation produces a shock and compresses the ablator the trend reverses. GCD with the PD-PMT can resolve this effect in the ablator areal density by a temporal shift in the carbon signal. To give quantitative results a calibration of the detector for the Hohlraum/TMP signal is needed. Shots using Al, Si, and Au pucks will yield the needed information to move forward with this project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗