U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsInF3 by Materials Project
Abstract
CsInF3 is (Cubic) Perovskite structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cs1+ is bonded to twelve F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent InF6 octahedra. There are a spread of Cs–F bond distances ranging from 3.29–3.33 Å. In2+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All In–F bond lengths are 2.34 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent In2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent In2+ atoms.
- Publication Date:
- Other Number(s):
- mp-998322
- 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-F-In; CsInF3; crystal structure
- OSTI Identifier:
- 1317303
- DOI:
- https://doi.org/10.17188/1317303
Citation Formats
Materials Data on CsInF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317303.
Materials Data on CsInF3 by Materials Project. United States. doi:https://doi.org/10.17188/1317303
2020.
"Materials Data on CsInF3 by Materials Project". United States. doi:https://doi.org/10.17188/1317303. https://www.osti.gov/servlets/purl/1317303. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1317303,
title = {Materials Data on CsInF3 by Materials Project},
abstractNote = {CsInF3 is (Cubic) Perovskite structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cs1+ is bonded to twelve F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent InF6 octahedra. There are a spread of Cs–F bond distances ranging from 3.29–3.33 Å. In2+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All In–F bond lengths are 2.34 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent In2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent In2+ atoms.},
doi = {10.17188/1317303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}