U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La5Pb3I by Materials Project
Abstract
La5Pb3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent I atoms. There are a spread of La–Pb bond distances ranging from 3.35–3.76 Å. Both La–I bond lengths are 3.26 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.56 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.
- Publication Date:
- Other Number(s):
- mp-31288
- 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; I-La-Pb; La5Pb3I; crystal structure
- OSTI Identifier:
- 1205562
- DOI:
- https://doi.org/10.17188/1205562
Citation Formats
Materials Data on La5Pb3I by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205562.
Materials Data on La5Pb3I by Materials Project. United States. doi:https://doi.org/10.17188/1205562
2020.
"Materials Data on La5Pb3I by Materials Project". United States. doi:https://doi.org/10.17188/1205562. https://www.osti.gov/servlets/purl/1205562. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1205562,
title = {Materials Data on La5Pb3I by Materials Project},
abstractNote = {La5Pb3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent I atoms. There are a spread of La–Pb bond distances ranging from 3.35–3.76 Å. Both La–I bond lengths are 3.26 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.56 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.},
doi = {10.17188/1205562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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