Search NASA⌕ Search

SEARCH · Search NASA

Results for “I-Pb-Tl”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TlPbI3 by Materials Project

TlPbI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.51–4.05 Å. Pb2+ is bonded to six I1- atoms to form a mixture of edge and corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two shorter (3.25 Å) and four longer (3.27 Å) Pb–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Tl1+ and two equivalent Pb2+ atoms to form distorted corner-sharing ITl2Pb2 tetrahedra. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl4PbI6 by Materials Project

Tl4PbI6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Tl–I bond distances ranging from 3.42–3.89 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.47–4.00 Å. Pb2+ is bonded to six I1- atoms to form edge-sharing PbI6 octahedra. There are two shorter (3.25 Å) and four longer (3.28 Å) Pb–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Tl1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three Tl1+ and two equivalent Pb2+ atoms. In the third I1- site, I1- is bonded in a 7-coordinate geometry to six Tl1+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗