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Title: Materials Data on La2Al4O9 by Materials Project

Abstract

La2Al4O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.57 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.89–2.02 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Al–O bond distances ranging from 1.75–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Al3+ atoms. In the fourth O2- site,more » O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Al3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768382
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; La2Al4O9; Al-La-O
OSTI Identifier:
1298399
DOI:
10.17188/1298399

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La2Al4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298399.
Persson, Kristin, & Project, Materials. Materials Data on La2Al4O9 by Materials Project. United States. doi:10.17188/1298399.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La2Al4O9 by Materials Project". United States. doi:10.17188/1298399. https://www.osti.gov/servlets/purl/1298399. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298399,
title = {Materials Data on La2Al4O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La2Al4O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.57 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.89–2.02 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Al–O bond distances ranging from 1.75–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Al3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1298399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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