SEARCH · Engineering Papers

Results for “Na3GdBr6”

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.

SourceResearch connectionFrom yearThrough year

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

2 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on Na3GdBr6 by Materials Project

Na3GdBr6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.98–3.69 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.96–3.70 Å. In the third Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with six GdBr6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Na–Br bond distances ranging from 2.91–3.10 Å. In the fourth Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with six GdBr6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Na–Br bond distances ranging from 2.90–3.09 Å. There are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to six Br1- atoms to form GdBr6 octahedra that share corners with six NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Gd–Br bond distances ranging from 2.82–2.85 Å. In the second Gd3+ site, Gd3+ is bonded to six Br1- atoms to form GdBr6 octahedra that share corners with six NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Gd–Br bond distances ranging from 2.82–2.85 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to four Na1+ and one Gd3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to four Na1+ and one Gd3+ atom. In the third Br1- site, Br1- is bonded to three Na1+ and one Gd3+ atom to form a mixture of distorted corner and edge-sharing BrNa3Gd trigonal pyramids. In the fourth Br1- site, Br1- is bonded to three Na1+ and one Gd3+ atom to form a mixture of distorted corner and edge-sharing BrNa3Gd trigonal pyramids. In the fifth Br1- site, Br1- is bonded to three Na1+ and one Gd3+ atom to form a mixture of distorted corner and edge-sharing BrNa3Gd trigonal pyramids. In the sixth Br1- site, Br1- is bonded to three Na1+ and one Gd3+ atom to form a mixture of distorted corner and edge-sharing BrNa3Gd trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na3GdBr6 by Materials Project

Na3GdBr6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three equivalent GdBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are three shorter (2.98 Å) and three longer (3.10 Å) Na–Br bond lengths. In the second Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with three equivalent NaBr6 octahedra, corners with six equivalent GdBr6 octahedra, edges with three equivalent NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–62°. There are three shorter (2.97 Å) and three longer (3.06 Å) Na–Br bond lengths. In the third Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three equivalent GdBr6 octahedra, corners with six equivalent NaBr6 octahedra, edges with three equivalent NaBr6 octahedra, and a faceface with one GdBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are three shorter (3.02 Å) and three longer (3.10 Å) Na–Br bond lengths. Gd3+ is bonded to six Br1- atoms to form GdBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three equivalent NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are three shorter (2.84 Å) and three longer (2.86 Å) Gd–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Gd3+ atom. In the second Br1- site, Br1- is bonded to three Na1+ and one Gd3+ atom to form a mixture of distorted corner and edge-sharing BrNa3Gd trigonal pyramids.

36 MATERIALS SCIENCE↗