U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on USiH2PbO7 by Materials Project
Abstract
UPbSiH2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.86–2.37 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–3.15 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one Pb2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ andmore »
- Publication Date:
- Other Number(s):
- mp-1202774
- 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; H-O-Pb-Si-U; USiH2PbO7; crystal structure
- OSTI Identifier:
- 1732039
- DOI:
- https://doi.org/10.17188/1732039
Citation Formats
Materials Data on USiH2PbO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732039.
Materials Data on USiH2PbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1732039
2020.
"Materials Data on USiH2PbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1732039. https://www.osti.gov/servlets/purl/1732039. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1732039,
title = {Materials Data on USiH2PbO7 by Materials Project},
abstractNote = {UPbSiH2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.86–2.37 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–3.15 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one Pb2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Pb2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+, one Pb2+, and one Si4+ atom.},
doi = {10.17188/1732039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}