Materials Data on Dy2Hf2O7 by Materials Project
Abstract
Dy2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.52 Å) Dy–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with six equivalent ODy2Hf2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Hf2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3611
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Dy2Hf2O7; Dy-Hf-O
- OSTI Identifier:
- 1207133
- DOI:
- https://doi.org/10.17188/1207133
Citation Formats
The Materials Project. Materials Data on Dy2Hf2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207133.
The Materials Project. Materials Data on Dy2Hf2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1207133
The Materials Project. 2020.
"Materials Data on Dy2Hf2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1207133. https://www.osti.gov/servlets/purl/1207133. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1207133,
title = {Materials Data on Dy2Hf2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.52 Å) Dy–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with six equivalent ODy2Hf2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Hf2 tetrahedra.},
doi = {10.17188/1207133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}