Materials Data on YCoO3 by Materials Project
Abstract
YCoO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are six shorter (2.30 Å) and two longer (2.80 Å) Y–O bond lengths. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 trigonal bipyramids. There is two shorter (1.86 Å) and three longer (2.10 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and three equivalent Co3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Co3+ atom to form a mixture of edge and corner-sharing OY3Co tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3570
- 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; YCoO3; Co-O-Y
- OSTI Identifier:
- 1320622
- DOI:
- https://doi.org/10.17188/1320622
Citation Formats
The Materials Project. Materials Data on YCoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320622.
The Materials Project. Materials Data on YCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1320622
The Materials Project. 2020.
"Materials Data on YCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1320622. https://www.osti.gov/servlets/purl/1320622. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1320622,
title = {Materials Data on YCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YCoO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are six shorter (2.30 Å) and two longer (2.80 Å) Y–O bond lengths. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 trigonal bipyramids. There is two shorter (1.86 Å) and three longer (2.10 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and three equivalent Co3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Co3+ atom to form a mixture of edge and corner-sharing OY3Co tetrahedra.},
doi = {10.17188/1320622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}
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