U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgU(PbO3)2 by Materials Project
Abstract
Pb2MgUO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Mg–O bond distances ranging from 2.12–2.17 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are four shorter (2.08 Å) and two longer (2.14 Å) U–O bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189016
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MgU(PbO3)2; Mg-O-Pb-U
- OSTI Identifier:
- 1675746
- DOI:
- https://doi.org/10.17188/1675746
Citation Formats
The Materials Project. Materials Data on MgU(PbO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675746.
The Materials Project. Materials Data on MgU(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1675746
The Materials Project. 2020.
"Materials Data on MgU(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1675746. https://www.osti.gov/servlets/purl/1675746. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1675746,
title = {Materials Data on MgU(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2MgUO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Mg–O bond distances ranging from 2.12–2.17 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are four shorter (2.08 Å) and two longer (2.14 Å) U–O bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms.},
doi = {10.17188/1675746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}