Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “I-Sn-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.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TlSnI3 by Materials Project

TlSnI3 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 3.53–4.04 Å. Sn2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.21 Å) and four longer (3.22 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Sn2+ atoms. In the second I1- site, I1- is bonded to two equivalent Tl1+ and two equivalent Sn2+ atoms to form distorted corner-sharing ITl2Sn2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlSn2I5 by Materials Project

TlSn2I5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are eight shorter (3.79 Å) and two longer (3.95 Å) Tl–I bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (3.06 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ITl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–37°. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl4SnI6 by Materials Project

Tl4SnI6 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 3.42–3.91 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 3.47–3.99 Å. Sn2+ is bonded to six I1- atoms to form edge-sharing SnI6 octahedra. There are two shorter (3.20 Å) and four longer (3.24 Å) Sn–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to six Tl1+ and one Sn2+ atom. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six Tl1+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three Tl1+ and two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3SnI5 by Materials Project

Tl3SnI5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first 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 3.49–4.01 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 3.47–3.92 Å. In the third Tl1+ site, Tl1+ is bonded to seven I1- atoms to form distorted TlI7 pentagonal bipyramids that share corners with five equivalent SnI5 square pyramids, edges with two equivalent TlI7 pentagonal bipyramids, and an edgeedge with one SnI5 square pyramid. There are a spread of Tl–I bond distances ranging from 3.54–3.79 Å. Sn2+ is bonded to five I1- atoms to form distorted SnI5 square pyramids that share corners with five equivalent TlI7 pentagonal bipyramids and an edgeedge with one TlI7 pentagonal bipyramid. There are a spread of Sn–I bond distances ranging from 3.07–3.33 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to four Tl1+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing ITl4Sn square pyramids. In the second I1- site, I1- is bonded in a 6-coordinate geometry to five Tl1+ and one Sn2+ atom. In the third I1- site, I1- is bonded in a 6-coordinate geometry to five Tl1+ and one Sn2+ atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to five Tl1+ and one Sn2+ atom. In the fifth I1- site, I1- is bonded to four Tl1+ and one Sn2+ atom to form a mixture of edge and corner-sharing ITl4Sn square pyramids.

36 MATERIALS SCIENCE↗