U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KPbO2 by Materials Project
Abstract
KPbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.16–2.78 Å. In the second K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.19–3.10 Å. In the third K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.17–2.78 Å. In the fourth K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.18–3.11 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In the second Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In themore »
- Publication Date:
- Other Number(s):
- mp-28574
- 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; crystal structure; K-O-Pb; KPbO2
- OSTI Identifier:
- 1202674
- DOI:
- https://doi.org/10.17188/1202674
Citation Formats
Materials Data on KPbO2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1202674.
Materials Data on KPbO2 by Materials Project. United States. doi:https://doi.org/10.17188/1202674
2019.
"Materials Data on KPbO2 by Materials Project". United States. doi:https://doi.org/10.17188/1202674. https://www.osti.gov/servlets/purl/1202674. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1202674,
title = {Materials Data on KPbO2 by Materials Project},
abstractNote = {KPbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.16–2.78 Å. In the second K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.19–3.10 Å. In the third K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.17–2.78 Å. In the fourth K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.18–3.11 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In the second Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In the third Pb site, Pb is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 1.83–2.79 Å. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 1.83–2.79 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one K and two Pb atoms. In the second O site, O is bonded in a 4-coordinate geometry to three K and one Pb atom. In the third O site, O is bonded in a 4-coordinate geometry to one K and three Pb atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to three K and one Pb atom. In the fifth O site, O is bonded in a 2-coordinate geometry to three K and two Pb atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to three K and two Pb atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one K and two Pb atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to one K and three Pb atoms.},
doi = {10.17188/1202674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}