U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YZrO14 by Materials Project
Abstract
YO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one YO2 framework and one ZrO12 framework. In the YO2 framework, Y is bonded to four equivalent O atoms to form corner-sharing YO4 tetrahedra. All Y–O bond lengths are 2.57 Å. O is bonded in a linear geometry to two equivalent Y atoms. In the ZrO12 framework, Zr is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.63 Å. O is bonded in a 4-coordinate geometry to one Zr and three equivalent O atoms. There is two shorter (1.56 Å) and one longer (2.02 Å) O–O bond length.
- Publication Date:
- Other Number(s):
- mp-1207896
- 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-Y-Zr; YZrO14; crystal structure
- OSTI Identifier:
- 1700011
- DOI:
- https://doi.org/10.17188/1700011
Citation Formats
Materials Data on YZrO14 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700011.
Materials Data on YZrO14 by Materials Project. United States. doi:https://doi.org/10.17188/1700011
2019.
"Materials Data on YZrO14 by Materials Project". United States. doi:https://doi.org/10.17188/1700011. https://www.osti.gov/servlets/purl/1700011. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1700011,
title = {Materials Data on YZrO14 by Materials Project},
abstractNote = {YO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one YO2 framework and one ZrO12 framework. In the YO2 framework, Y is bonded to four equivalent O atoms to form corner-sharing YO4 tetrahedra. All Y–O bond lengths are 2.57 Å. O is bonded in a linear geometry to two equivalent Y atoms. In the ZrO12 framework, Zr is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.63 Å. O is bonded in a 4-coordinate geometry to one Zr and three equivalent O atoms. There is two shorter (1.56 Å) and one longer (2.02 Å) O–O bond length.},
doi = {10.17188/1700011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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