U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGePbO4 by Materials Project
Abstract
BaPbGeO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.98 Å. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.28 Å) and two longer (2.35 Å) Pb–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-1192417
- 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; Ba-Ge-O-Pb; BaGePbO4; crystal structure
- OSTI Identifier:
- 1699625
- DOI:
- https://doi.org/10.17188/1699625
Citation Formats
Materials Data on BaGePbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699625.
Materials Data on BaGePbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1699625
2020.
"Materials Data on BaGePbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1699625. https://www.osti.gov/servlets/purl/1699625. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1699625,
title = {Materials Data on BaGePbO4 by Materials Project},
abstractNote = {BaPbGeO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.98 Å. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.28 Å) and two longer (2.35 Å) Pb–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Pb2+, and one Ge4+ atom.},
doi = {10.17188/1699625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}