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Title: Materials Data on LuAlO3 by Materials Project

Abstract

LuAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.21 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent LuO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.84 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Al3+ atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-755358
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; LuAlO3; Al-Lu-O
OSTI Identifier:
1289957
DOI:
10.17188/1289957

Citation Formats

The Materials Project. Materials Data on LuAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289957.
The Materials Project. Materials Data on LuAlO3 by Materials Project. United States. doi:10.17188/1289957.
The Materials Project. 2020. "Materials Data on LuAlO3 by Materials Project". United States. doi:10.17188/1289957. https://www.osti.gov/servlets/purl/1289957. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1289957,
title = {Materials Data on LuAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LuAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.21 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent LuO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.84 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Al3+ atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.},
doi = {10.17188/1289957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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