U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiZr2O4 by Materials Project
Abstract
LiZr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 2.17 Å. Zr+3.50+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent ZrO6 octahedra. All Zr–O bond lengths are 2.17 Å. O2- is bonded to one Li1+ and three equivalent Zr+3.50+ atoms to form a mixture of distorted edge and corner-sharing OLiZr3 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-772214
- 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; Li-O-Zr; LiZr2O4; crystal structure
- OSTI Identifier:
- 1301108
- DOI:
- https://doi.org/10.17188/1301108
Citation Formats
Materials Data on LiZr2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301108.
Materials Data on LiZr2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1301108
2020.
"Materials Data on LiZr2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1301108. https://www.osti.gov/servlets/purl/1301108. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1301108,
title = {Materials Data on LiZr2O4 by Materials Project},
abstractNote = {LiZr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 2.17 Å. Zr+3.50+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent ZrO6 octahedra. All Zr–O bond lengths are 2.17 Å. O2- is bonded to one Li1+ and three equivalent Zr+3.50+ atoms to form a mixture of distorted edge and corner-sharing OLiZr3 trigonal pyramids.},
doi = {10.17188/1301108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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