U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaDy2CoO5 by Materials Project
Abstract
Dy2BaCoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.91 Å) and eight longer (2.98 Å) Ba–O bond lengths. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.43 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.25 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Dy3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Dy3+, and two equivalent Co2+ atoms.
- Publication Date:
- Other Number(s):
- mp-19164
- 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; Ba-Co-Dy-O; BaDy2CoO5; crystal structure
- OSTI Identifier:
- 1193988
- DOI:
- https://doi.org/10.17188/1193988
Citation Formats
Materials Data on BaDy2CoO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193988.
Materials Data on BaDy2CoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1193988
2020.
"Materials Data on BaDy2CoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1193988. https://www.osti.gov/servlets/purl/1193988. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1193988,
title = {Materials Data on BaDy2CoO5 by Materials Project},
abstractNote = {Dy2BaCoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.91 Å) and eight longer (2.98 Å) Ba–O bond lengths. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.43 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.25 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Dy3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Dy3+, and two equivalent Co2+ atoms.},
doi = {10.17188/1193988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}