U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiLa4CoO8 by Materials Project
Abstract
LiLa4CoO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.92 Å) and two longer (2.36 Å) Li–O bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.73 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.73 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.85 Å) and two longer (2.33 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five La3+ atoms to form a mixture of distorted corner and edge-sharing OLiLa5 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-19206
- 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; LiLa4CoO8; Co-La-Li-O
- OSTI Identifier:
- 1194055
- DOI:
- https://doi.org/10.17188/1194055
Citation Formats
The Materials Project. Materials Data on LiLa4CoO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194055.
The Materials Project. Materials Data on LiLa4CoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1194055
The Materials Project. 2020.
"Materials Data on LiLa4CoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1194055. https://www.osti.gov/servlets/purl/1194055. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194055,
title = {Materials Data on LiLa4CoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa4CoO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.92 Å) and two longer (2.36 Å) Li–O bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.73 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.73 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.85 Å) and two longer (2.33 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five La3+ atoms to form a mixture of distorted corner and edge-sharing OLiLa5 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In the second O2- site, O2- is bonded to five La3+ and one Co3+ atom to form distorted OLa5Co octahedra that share corners with five equivalent OLa5Co octahedra and edges with eight OLiLa5 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. In the third O2- site, O2- is bonded in a distorted linear geometry to one Li1+, four La3+, and one Co3+ atom.},
doi = {10.17188/1194055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}