U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrSiO4 by Materials Project
Abstract
ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-1020588
- 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; O-Si-Zr; ZrSiO4; crystal structure
- OSTI Identifier:
- 1351496
- DOI:
- https://doi.org/10.17188/1351496
Citation Formats
Materials Data on ZrSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351496.
Materials Data on ZrSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1351496
2020.
"Materials Data on ZrSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1351496. https://www.osti.gov/servlets/purl/1351496. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1351496,
title = {Materials Data on ZrSiO4 by Materials Project},
abstractNote = {ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.},
doi = {10.17188/1351496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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