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7 records
All sourcesNASA NTRSDOE OSTI
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 LiInSe2 by Materials Project

LiInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Se2- atoms to form LiSe4 tetrahedra that share corners with four equivalent LiSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Li–Se bond lengths are 2.58 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent LiSe4 tetrahedra. All In–Se bond lengths are 2.63 Å. Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiInSe2 by Materials Project

LiInSe2 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four Se2- atoms to form LiSe4 tetrahedra that share corners with four equivalent LiSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. There are a spread of Li–Se bond distances ranging from 2.58–2.60 Å. In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent LiSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.62–2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiInSe2 by Materials Project

LiInSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent InSe6 octahedra, corners with four equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent InSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are four shorter (2.84 Å) and two longer (2.93 Å) Li–Se bond lengths. In3+ is bonded to six Se2- atoms to form InSe6 octahedra that share corners with two equivalent LiSe6 octahedra, corners with four equivalent InSe6 octahedra, edges with four equivalent InSe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are two shorter (2.69 Å) and four longer (2.84 Å) In–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are two shorter (2.84 Å) and one longer (2.93 Å) Se–Li bond lengths. There are one shorter (2.69 Å) and two longer (2.84 Å) Se–In bond lengths. In the second Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the fourth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the fifth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are two shorter (2.84 Å) and one longer (2.93 Å) Se–Li bond lengths. There are one shorter (2.69 Å) and two longer (2.84 Å) Se–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiInSe2 by Materials Project

LiInSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.73 Å) and four longer (2.84 Å) Li–Se bond lengths. In3+ is bonded to six Se2- atoms to form InSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with four equivalent InSe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.73 Å) and four longer (2.84 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Li1+ and four equivalent In3+ atoms to form a mixture of edge and corner-sharing SeLi2In4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Se2- site, Se2- is bonded to four equivalent Li1+ and two equivalent In3+ atoms to form SeLi4In2 octahedra that share corners with six equivalent SeLi4In2 octahedra and edges with twelve SeLi2In4 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

First evaluation of fast neutron imaging with LiInSe 2 semiconductors

Fast neutron imaging is a powerful tool to investigate elemental/isotopic compositions of objects, supporting both scientific studies as well as cargo scanning. Current neutron imaging systems are faced with challenges associated with timing, detection efficiency, and/or spatial resolution. Here, we report on the use of a semiconducting lithium indium diselenide neutron sensor coupled to a Timepix ASIC for fast neutron imaging. Using a 15 cm thick copper knife edge, the spatial resolution of the neutron imager was found to be 1.55 mm for 9 MeV neutrons. In conclusion, the experimental detection efficiency at 9 MeV was in general agreement with calculations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Hot-pressed 6 LiInSe 2 for use as a ceramic radiation detector

Lithium based chalcogenides have many uses in the nuclear science field. 6 LiInSe 2 (or LISe) has been researched extensively because of its ability to operate in both scintillator and semiconductor modes. Here, this makes it useful in applications including nuclear material detection for national security, space applications, and medical imaging. In some applications growth and fabrication costs are of concern, as it takes upwards of 40 days to synthesize a charge, grow a crystal and fabricate a detector. Ceramics are a solution for this long route of preparation. This research shows that using a 6 LiInSe 2 ceramic instead of a single crystal significantly decreases the time required to make a detector. In the present work, ceramic wafers can be formed using a mechanical press equipped with a heating attachment. The resulting ceramic wafer performs very similar to a slow-growth single crystal when used in the scintillator mode.

36 MATERIALS SCIENCE↗