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Title: Materials Data on LaYO3 by Materials Project

Abstract

LaYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.81 Å. Y3+ is bonded to six O2- atoms to form corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Y–O bond distances ranging from 2.26–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Y3+ atoms to form distorted corner-sharing OLa2Y2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-10429
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaYO3; La-O-Y
OSTI Identifier:
1187114
DOI:
https://doi.org/10.17188/1187114

Citation Formats

The Materials Project. Materials Data on LaYO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187114.
The Materials Project. Materials Data on LaYO3 by Materials Project. United States. doi:https://doi.org/10.17188/1187114
The Materials Project. 2020. "Materials Data on LaYO3 by Materials Project". United States. doi:https://doi.org/10.17188/1187114. https://www.osti.gov/servlets/purl/1187114. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187114,
title = {Materials Data on LaYO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.81 Å. Y3+ is bonded to six O2- atoms to form corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Y–O bond distances ranging from 2.26–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Y3+ atoms to form distorted corner-sharing OLa2Y2 trigonal pyramids.},
doi = {10.17188/1187114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}