Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ge-Na-S”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na2Ge2S5 by Materials Project

Na2Ge2S5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.98–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.93–3.44 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.15–2.27 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.17–2.27 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Na1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the fourth S2- site, S2- is bonded to four Na1+ and one Ge4+ atom to form distorted SNa4Ge square pyramids that share corners with six equivalent SNa3Ge trigonal pyramids and edges with two equivalent SNa4Ge square pyramids. In the fifth S2- site, S2- is bonded to three Na1+ and one Ge4+ atom to form distorted SNa3Ge trigonal pyramids that share corners with six equivalent SNa4Ge square pyramids and corners with two equivalent SNa3Ge trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na6Ge2S7 by Materials Project

Na6Ge2S7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six S2- atoms to form distorted NaS6 octahedra that share corners with two NaS6 octahedra, a cornercorner with one GeS4 tetrahedra, edges with four NaS6 octahedra, and edges with three equivalent GeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 6–40°. There are a spread of Na–S bond distances ranging from 2.89–3.33 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.87–3.45 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.75 Å) and two longer (2.81 Å) Na–S bond lengths. In the fourth Na1+ site, Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent NaS6 octahedra, corners with two equivalent GeS4 tetrahedra, edges with four equivalent NaS6 octahedra, and edges with two equivalent GeS4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Na–S bond distances ranging from 2.78–3.13 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two NaS6 octahedra, a cornercorner with one GeS4 tetrahedra, and edges with four NaS6 octahedra. The corner-sharing octahedra tilt angles range from 20–59°. There are a spread of Ge–S bond distances ranging from 2.21–2.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SNa5Ge octahedra. The corner-sharing octahedra tilt angles range from 0–78°. In the second S2- site, S2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of corner and edge-sharing SNa5Ge octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four Na1+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2GeS3 by Materials Project

Na2GeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five S2- atoms to form distorted NaS5 trigonal bipyramids that share corners with six equivalent NaS6 octahedra, corners with two equivalent GeS4 tetrahedra, corners with two equivalent NaS5 trigonal bipyramids, edges with two equivalent NaS6 octahedra, edges with two equivalent GeS4 tetrahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 3–84°. There are a spread of Na–S bond distances ranging from 2.85–3.05 Å. In the second Na1+ site, Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent NaS6 octahedra, corners with three equivalent GeS4 tetrahedra, corners with six equivalent NaS5 trigonal bipyramids, edges with three equivalent NaS6 octahedra, edges with two equivalent GeS4 tetrahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are a spread of Na–S bond distances ranging from 2.85–3.11 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent NaS6 octahedra, corners with two equivalent GeS4 tetrahedra, corners with two equivalent NaS5 trigonal bipyramids, edges with two equivalent NaS6 octahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 26–66°. There are a spread of Ge–S bond distances ranging from 2.19–2.29 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Ge4+ atom. In the second S2- site, S2- is bonded to four Na1+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SNa4Ge trigonal bipyramids. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗