Materials Data on CsSnI3 by Materials Project
Abstract
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 bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-616378
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsSnI3; Cs-I-Sn
- OSTI Identifier:
- 1277852
- DOI:
- https://doi.org/10.17188/1277852
Citation Formats
The Materials Project. Materials Data on CsSnI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277852.
The Materials Project. Materials Data on CsSnI3 by Materials Project. United States. doi:https://doi.org/10.17188/1277852
The Materials Project. 2020.
"Materials Data on CsSnI3 by Materials Project". United States. doi:https://doi.org/10.17188/1277852. https://www.osti.gov/servlets/purl/1277852. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1277852,
title = {Materials Data on CsSnI3 by Materials Project},
author = {The Materials Project},
abstractNote = {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°.},
doi = {10.17188/1277852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}