DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YAlO3 by Materials Project

Abstract

YAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.61 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Al–O bond distances ranging from 1.92–1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Al3+ atoms to form distorted corner-sharing OY2Al2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-3792
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; YAlO3; Al-O-Y
OSTI Identifier:
1207439
DOI:
https://doi.org/10.17188/1207439

Citation Formats

The Materials Project. Materials Data on YAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207439.
The Materials Project. Materials Data on YAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1207439
The Materials Project. 2020. "Materials Data on YAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1207439. https://www.osti.gov/servlets/purl/1207439. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207439,
title = {Materials Data on YAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.61 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Al–O bond distances ranging from 1.92–1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Al3+ atoms to form distorted corner-sharing OY2Al2 tetrahedra.},
doi = {10.17188/1207439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}