U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCe(MoO4)2 by Materials Project
Abstract
NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.61 Å) Na–O bond lengths. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Ce–O bond lengths. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221085
- 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; NaCe(MoO4)2; Ce-Mo-Na-O
- OSTI Identifier:
- 1673012
- DOI:
- https://doi.org/10.17188/1673012
Citation Formats
The Materials Project. Materials Data on NaCe(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1673012.
The Materials Project. Materials Data on NaCe(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1673012
The Materials Project. 2020.
"Materials Data on NaCe(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1673012. https://www.osti.gov/servlets/purl/1673012. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1673012,
title = {Materials Data on NaCe(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.61 Å) Na–O bond lengths. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Ce–O bond lengths. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom.},
doi = {10.17188/1673012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}