Materials Data on Na2UO4 by Materials Project
Abstract
Na2UO4 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.66 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of U–O bond distances ranging from 1.94–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one U6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-669528
- 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; Na2UO4; Na-O-U
- OSTI Identifier:
- 1281654
- DOI:
- https://doi.org/10.17188/1281654
Citation Formats
The Materials Project. Materials Data on Na2UO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281654.
The Materials Project. Materials Data on Na2UO4 by Materials Project. United States. doi:https://doi.org/10.17188/1281654
The Materials Project. 2020.
"Materials Data on Na2UO4 by Materials Project". United States. doi:https://doi.org/10.17188/1281654. https://www.osti.gov/servlets/purl/1281654. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281654,
title = {Materials Data on Na2UO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2UO4 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.66 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of U–O bond distances ranging from 1.94–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one U6+ atom.},
doi = {10.17188/1281654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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