Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “LiS4”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KLiZnS2 by Materials Project

KLiZnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.44 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent ZnS4 tetrahedra. All Li–S bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Zn–S bond lengths are 2.41 Å. S2- is bonded in a 4-coordinate geometry to four equivalent K1+, two equivalent Li1+, and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3SbS4 by Materials Project

Li3SbS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with eight equivalent LiS4 tetrahedra and edges with two equivalent SbS4 tetrahedra. All Li–S bond lengths are 2.58 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share edges with six equivalent LiS4 tetrahedra. All Sb–S bond lengths are 2.35 Å. S2- is bonded to three equivalent Li1+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing SLi3Sb trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2SiSnS4 by Materials Project

Li2SnSiS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 trigonal pyramids that share corners with four equivalent SiS4 tetrahedra and corners with four equivalent LiS4 trigonal pyramids. All Li–S bond lengths are 2.45 Å. Sn2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.07 Å) and four longer (3.17 Å) Sn–S bond lengths. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent LiS4 trigonal pyramids. All Si–S bond lengths are 2.14 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Sn2+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbLiMnS2 by Materials Project

RbLiMnS2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Rb–S bond lengths are 3.49 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent MnS4 tetrahedra. All Li–S bond lengths are 2.27 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Mn–S bond lengths are 2.27 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+, two equivalent Li1+, and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAlS2 by Materials Project

LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsLiMnS2 by Materials Project

CsLiMnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Cs–S bond lengths are 3.70 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent MnS4 tetrahedra. All Li–S bond lengths are 2.45 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Mn–S bond lengths are 2.45 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cs1+, two equivalent Li1+, and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4FeS3 by Materials Project

Li4FeS3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.43–2.61 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.42–2.51 Å. In the third Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 trigonal pyramids. There are a spread of Li–S bond distances ranging from 2.49–2.58 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Li–S bond distances ranging from 2.40–2.50 Å. Fe2+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) Fe–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Li1+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SLi5Fe pentagonal pyramids. In the second S2- site, S2- is bonded to five Li1+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SLi5Fe pentagonal pyramids. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Fe2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbLiZnS2 by Materials Project

RbLiZnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Rb–S bond lengths are 3.54 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent ZnS4 tetrahedra. All Li–S bond lengths are 2.42 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Zn–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+, two equivalent Li1+, and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsLiZnS2 by Materials Project

CsLiZnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Cs–S bond lengths are 3.67 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent ZnS4 tetrahedra. All Li–S bond lengths are 2.43 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Zn–S bond lengths are 2.43 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cs1+, two equivalent Li1+, and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCr4InS8 by Materials Project

LiCr4InS8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with nine equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 53–64°. There are three shorter (2.35 Å) and one longer (2.49 Å) Li–S bond lengths. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with three equivalent LiS4 tetrahedra, corners with three equivalent CrS4 tetrahedra, edges with two equivalent InS6 octahedra, and edges with four equivalent CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.37–2.50 Å. In the second Cr3+ site, Cr3+ is bonded to four S2- atoms to form CrS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with nine equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are three shorter (2.33 Å) and one longer (2.39 Å) Cr–S bond lengths. In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three equivalent LiS4 tetrahedra, corners with three equivalent CrS4 tetrahedra, and edges with six equivalent CrS6 octahedra. There are three shorter (2.57 Å) and three longer (2.66 Å) In–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Cr3+ and one In3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to four Cr3+ atoms. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+, two equivalent Cr3+, and one In3+ atom. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three equivalent Cr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiInS2 by Materials Project

LiInS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Li–S bond lengths. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHS by Materials Project

LiSH crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded to four Li1+ and one H1+ atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2LiVS4 by Materials Project

Cs2LiVS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Cs–S bond distances ranging from 3.60–3.94 Å. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share edges with two equivalent VS4 tetrahedra. All Li–S bond lengths are 2.44 Å. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with two equivalent LiS4 tetrahedra. All V–S bond lengths are 2.16 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Li1+, and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2LiVS4 by Materials Project

Rb2LiVS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.48–3.83 Å. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share edges with two equivalent VS4 tetrahedra. All Li–S bond lengths are 2.43 Å. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with two equivalent LiS4 tetrahedra. All V–S bond lengths are 2.16 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Li1+, and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3BS3 by Materials Project

Li3BS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.46–2.52 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form corner-sharing LiS4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.50 Å) Li–S bond lengths. B3+ is bonded in a trigonal planar geometry to three S2- atoms. All B–S bond lengths are 1.83 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Li1+ and one B3+ atom to form a mixture of distorted edge and corner-sharing SLi4B trigonal bipyramids. In the second S2- site, S2- is bonded to four Li1+ and one B3+ atom to form a mixture of distorted edge and corner-sharing SLi4B trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2CuS2 by Materials Project

Li2CuS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.44–2.52 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.43–2.53 Å. Cu2+ is bonded in a square co-planar geometry to four S2- atoms. There are one shorter (2.31 Å) and three longer (2.32 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Li1+ and two equivalent Cu2+ atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 pentagonal pyramids. In the second S2- site, S2- is bonded to four Li1+ and two equivalent Cu2+ atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3BiS3 by Materials Project

Li3BiS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of distorted corner and edge-sharing LiS4 trigonal pyramids. There are a spread of Li–S bond distances ranging from 2.28–2.98 Å. In the second Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.86 Å. In the third Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.32–2.65 Å. Bi3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Bi–S bond distances ranging from 2.63–3.42 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Li1+ and three equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Li1+ and one Bi3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Li1+ and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3CuS2 by Materials Project

Li3CuS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.59 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.42–2.52 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Li–S bond distances ranging from 2.38–2.59 Å. Cu1+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.15 Å) and one longer (2.16 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu1+ atom. In the second S2- site, S2- is bonded to six Li1+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SLi6Cu pentagonal bipyramids.

36 MATERIALS SCIENCE↗