Materials Data on LaYbO3 by Materials Project
Abstract
LaYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Yb–O bond distances ranging from 2.28–2.33 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and two equivalent La3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22530
- 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; LaYbO3; La-O-Yb
- OSTI Identifier:
- 1198765
- DOI:
- https://doi.org/10.17188/1198765
Citation Formats
The Materials Project. Materials Data on LaYbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198765.
The Materials Project. Materials Data on LaYbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1198765
The Materials Project. 2020.
"Materials Data on LaYbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1198765. https://www.osti.gov/servlets/purl/1198765. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198765,
title = {Materials Data on LaYbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Yb–O bond distances ranging from 2.28–2.33 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and two equivalent La3+ atoms.},
doi = {10.17188/1198765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}