U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaCoO3 by Materials Project
Abstract
LaCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.94 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.95 Å. There are four inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There are a spread of Co–O bond distances ranging from 1.90–2.01 Å. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Co–O bond distances ranging from 1.95–2.04 Å. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are a spread of Co–O bond distances ranging from 1.93–1.98 Å. In the fourth Co3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185232
- 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; LaCoO3; Co-La-O
- OSTI Identifier:
- 1711640
- DOI:
- https://doi.org/10.17188/1711640
Citation Formats
The Materials Project. Materials Data on LaCoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711640.
The Materials Project. Materials Data on LaCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1711640
The Materials Project. 2020.
"Materials Data on LaCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1711640. https://www.osti.gov/servlets/purl/1711640. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711640,
title = {Materials Data on LaCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.94 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.95 Å. There are four inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There are a spread of Co–O bond distances ranging from 1.90–2.01 Å. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Co–O bond distances ranging from 1.95–2.04 Å. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are a spread of Co–O bond distances ranging from 1.93–1.98 Å. In the fourth Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 19–23°. There are a spread of Co–O bond distances ranging from 1.97–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two Co3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two Co3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Co3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Co3+ atoms.},
doi = {10.17188/1711640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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