Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cs-I-Sn”

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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsSnI3 by Materials Project

CsSnI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.98–4.33 Å. Sn2+ is bonded to six I1- atoms to form edge-sharing SnI6 octahedra. There are a spread of Sn–I bond distances ranging from 3.04–3.45 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three equivalent Sn2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Cs1+ and one Sn2+ atom. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2SnI6 by Materials Project

Cs2SnI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent SnI6 octahedra. All Cs–I bond lengths are 4.27 Å. Sn4+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Sn–I bond lengths are 2.91 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSnI3 by Materials Project

CsSnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.05–4.43 Å. Sn2+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 6–21°. There are two shorter (3.16 Å) and four longer (3.17 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Sn2+ atoms. In the second I1- site, I1- is bonded to three equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and edge-sharing ICs3Sn2 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSnI3 by Materials Project

CsSnI3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with eight equivalent SnI6 octahedra. All Cs–I bond lengths are 4.45 Å. Sn2+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share corners with six equivalent SnI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–I bond lengths are 3.14 Å. I1- is bonded to four equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner, edge, and face-sharing ICs4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSnI3 by Materials Project

CsSnI3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are four shorter (4.10 Å) and four longer (4.41 Å) Cs–I bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted body-centered cubic geometry to eight I1- atoms. There are four shorter (4.10 Å) and four longer (4.41 Å) Cs–I bond lengths. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (3.15 Å) and four longer (3.16 Å) Sn–I bond lengths. In the second Sn2+ site, Sn2+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (3.15 Å) and four longer (3.16 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two Sn2+ atoms. In the second I1- site, I1- is bonded to four Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and edge-sharing ICs4Sn2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗