U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaGdSiO4 by Materials Project
Abstract
NaGdSiO4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.76 Å. Gd3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.88 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, three equivalent Gd3+, and one Si4+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+, one Gd3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa4GdSi octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Gd3+, and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-18515
- 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; Gd-Na-O-Si; NaGdSiO4; crystal structure
- OSTI Identifier:
- 1193151
- DOI:
- https://doi.org/10.17188/1193151
Citation Formats
Materials Data on NaGdSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193151.
Materials Data on NaGdSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193151
2020.
"Materials Data on NaGdSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193151. https://www.osti.gov/servlets/purl/1193151. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1193151,
title = {Materials Data on NaGdSiO4 by Materials Project},
abstractNote = {NaGdSiO4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.76 Å. Gd3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.88 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, three equivalent Gd3+, and one Si4+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+, one Gd3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa4GdSi octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Gd3+, and one Si4+ atom.},
doi = {10.17188/1193151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}