U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd2Ru2O7 by Materials Project
Abstract
Gd2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.51 Å) Gd–O bond lengths. Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ru–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OGd2Ru2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-505216
- 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; crystal structure; Gd-O-Ru; Gd2Ru2O7
- OSTI Identifier:
- 1262381
- DOI:
- https://doi.org/10.17188/1262381
Citation Formats
Materials Data on Gd2Ru2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262381.
Materials Data on Gd2Ru2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1262381
2020.
"Materials Data on Gd2Ru2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1262381. https://www.osti.gov/servlets/purl/1262381. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1262381,
title = {Materials Data on Gd2Ru2O7 by Materials Project},
abstractNote = {Gd2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.51 Å) Gd–O bond lengths. Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ru–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OGd2Ru2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.},
doi = {10.17188/1262381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}