U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K5Pb24 by Materials Project
Abstract
K5Pb24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one K and twelve Pb atoms. The K–K bond length is 3.96 Å. There are a spread of K–Pb bond distances ranging from 3.58–3.98 Å. In the second K site, K is bonded in a 12-coordinate geometry to four equivalent K and twelve equivalent Pb atoms. All K–Pb bond lengths are 4.07 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted single-bond geometry to one K and five equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.19–3.65 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four K and eight Pb atoms. There are one shorter (3.39 Å) and two longer (3.54 Å) Pb–Pb bond lengths.
- Publication Date:
- Other Number(s):
- mp-21613
- 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; K-Pb; K5Pb24; crystal structure
- OSTI Identifier:
- 1197060
- DOI:
- https://doi.org/10.17188/1197060
Citation Formats
Materials Data on K5Pb24 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197060.
Materials Data on K5Pb24 by Materials Project. United States. doi:https://doi.org/10.17188/1197060
2020.
"Materials Data on K5Pb24 by Materials Project". United States. doi:https://doi.org/10.17188/1197060. https://www.osti.gov/servlets/purl/1197060. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1197060,
title = {Materials Data on K5Pb24 by Materials Project},
abstractNote = {K5Pb24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one K and twelve Pb atoms. The K–K bond length is 3.96 Å. There are a spread of K–Pb bond distances ranging from 3.58–3.98 Å. In the second K site, K is bonded in a 12-coordinate geometry to four equivalent K and twelve equivalent Pb atoms. All K–Pb bond lengths are 4.07 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted single-bond geometry to one K and five equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.19–3.65 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four K and eight Pb atoms. There are one shorter (3.39 Å) and two longer (3.54 Å) Pb–Pb bond lengths.},
doi = {10.17188/1197060},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}