U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2TiCoO6 by Materials Project
Abstract
La2CoTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent CoO6 octahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) La–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.93 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.99 Å) and four longer (2.03 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Ti4+, and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to fourmore »
- Publication Date:
- Other Number(s):
- mp-1078893
- 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; Co-La-O-Ti; La2TiCoO6; crystal structure
- OSTI Identifier:
- 1723883
- DOI:
- https://doi.org/10.17188/1723883
Citation Formats
Materials Data on La2TiCoO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723883.
Materials Data on La2TiCoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1723883
2020.
"Materials Data on La2TiCoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1723883. https://www.osti.gov/servlets/purl/1723883. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1723883,
title = {Materials Data on La2TiCoO6 by Materials Project},
abstractNote = {La2CoTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent CoO6 octahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) La–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.93 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.99 Å) and four longer (2.03 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Ti4+, and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Ti4+, and one Co2+ atom.},
doi = {10.17188/1723883},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}