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Title: Materials Data on AlMoO3 by Materials Project

Abstract

MoAlO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo3+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and corners with eight equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are a spread of Mo–O bond distances ranging from 2.11–2.33 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent MoO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–82°. There is two shorter (1.77 Å) and two longer (1.89 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo3+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mo3+ and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mvc-15905
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; AlMoO3; Al-Mo-O
OSTI Identifier:
1319585
DOI:
10.17188/1319585

Citation Formats

The Materials Project. Materials Data on AlMoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319585.
The Materials Project. Materials Data on AlMoO3 by Materials Project. United States. doi:10.17188/1319585.
The Materials Project. 2020. "Materials Data on AlMoO3 by Materials Project". United States. doi:10.17188/1319585. https://www.osti.gov/servlets/purl/1319585. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319585,
title = {Materials Data on AlMoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoAlO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo3+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and corners with eight equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are a spread of Mo–O bond distances ranging from 2.11–2.33 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent MoO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–82°. There is two shorter (1.77 Å) and two longer (1.89 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo3+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mo3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1319585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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