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Title: Materials Data on LuAlO3 by Materials Project

Abstract

LuAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is four shorter (1.92 Å) and two longer (1.94 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Al3+ atoms to form distorted corner-sharing OLu2Al2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Al3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-755574
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; LuAlO3; Al-Lu-O
OSTI Identifier:
1290091
DOI:
https://doi.org/10.17188/1290091

Citation Formats

The Materials Project. Materials Data on LuAlO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1290091.
The Materials Project. Materials Data on LuAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290091
The Materials Project. 2017. "Materials Data on LuAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290091. https://www.osti.gov/servlets/purl/1290091. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1290091,
title = {Materials Data on LuAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LuAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is four shorter (1.92 Å) and two longer (1.94 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Al3+ atoms to form distorted corner-sharing OLu2Al2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1290091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}