U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy3Bi(Ru2O7)2 by Materials Project
Abstract
Dy3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.49 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ru–O bond lengths are 2.02 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Ru–O bond lengths are 2.01 Å. Bi3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.30 Å) and six longer (2.51 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Dy3+ and one Bi3+ atom to form a mixture of corner and edge-sharing ODy3Bi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two Ru4+ atoms to form a mixture of distorted corner and edge-sharing ODy2Ru2 tetrahedra. In the third O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225336
- 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; Dy3Bi(Ru2O7)2; Bi-Dy-O-Ru
- OSTI Identifier:
- 1738323
- DOI:
- https://doi.org/10.17188/1738323
Citation Formats
The Materials Project. Materials Data on Dy3Bi(Ru2O7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738323.
The Materials Project. Materials Data on Dy3Bi(Ru2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1738323
The Materials Project. 2020.
"Materials Data on Dy3Bi(Ru2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1738323. https://www.osti.gov/servlets/purl/1738323. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1738323,
title = {Materials Data on Dy3Bi(Ru2O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.49 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ru–O bond lengths are 2.02 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Ru–O bond lengths are 2.01 Å. Bi3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.30 Å) and six longer (2.51 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Dy3+ and one Bi3+ atom to form a mixture of corner and edge-sharing ODy3Bi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two Ru4+ atoms to form a mixture of distorted corner and edge-sharing ODy2Ru2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Dy3+, two equivalent Ru4+, and one Bi3+ atom.},
doi = {10.17188/1738323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}