U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho2Zr2O7 by Materials Project
Abstract
Ho2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.29 Å) and six longer (2.50 Å) Ho–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Zr–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OHo2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-756066
- 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; Ho-O-Zr; Ho2Zr2O7; crystal structure
- OSTI Identifier:
- 1290336
- DOI:
- https://doi.org/10.17188/1290336
Citation Formats
Materials Data on Ho2Zr2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290336.
Materials Data on Ho2Zr2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1290336
2020.
"Materials Data on Ho2Zr2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1290336. https://www.osti.gov/servlets/purl/1290336. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1290336,
title = {Materials Data on Ho2Zr2O7 by Materials Project},
abstractNote = {Ho2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.29 Å) and six longer (2.50 Å) Ho–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Zr–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OHo2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.},
doi = {10.17188/1290336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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