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

Title: Materials Data on Mn2AlO4 by Materials Project

Abstract

Mn2AlO4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.12 Å) and two longer (2.15 Å) Mn–O bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Mn–O bond lengths are 2.14 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There is one shorter (1.81 Å) and three longer (1.83 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Mn+2.50+ and one Al3+ atom.

Publication Date:
Other Number(s):
mvc-11435
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; Mn2AlO4; Al-Mn-O
OSTI Identifier:
1318197
DOI:
10.17188/1318197

Citation Formats

The Materials Project. Materials Data on Mn2AlO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318197.
The Materials Project. Materials Data on Mn2AlO4 by Materials Project. United States. doi:10.17188/1318197.
The Materials Project. 2020. "Materials Data on Mn2AlO4 by Materials Project". United States. doi:10.17188/1318197. https://www.osti.gov/servlets/purl/1318197. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318197,
title = {Materials Data on Mn2AlO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2AlO4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.12 Å) and two longer (2.15 Å) Mn–O bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Mn–O bond lengths are 2.14 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There is one shorter (1.81 Å) and three longer (1.83 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Mn+2.50+ and one Al3+ atom.},
doi = {10.17188/1318197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Dataset:

Save / Share: