U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsSrI3 by Materials Project
Abstract
CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.
- Publication Date:
- Other Number(s):
- mp-998417
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cs-I-Sr; CsSrI3; crystal structure
- OSTI Identifier:
- 1317324
- DOI:
- https://doi.org/10.17188/1317324
Citation Formats
Materials Data on CsSrI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317324.
Materials Data on CsSrI3 by Materials Project. United States. doi:https://doi.org/10.17188/1317324
2020.
"Materials Data on CsSrI3 by Materials Project". United States. doi:https://doi.org/10.17188/1317324. https://www.osti.gov/servlets/purl/1317324. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1317324,
title = {Materials Data on CsSrI3 by Materials Project},
abstractNote = {CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.},
doi = {10.17188/1317324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}