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Title: Materials Data on TiAlO3 by Materials Project

Abstract

AlTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.02 Å) and three longer (2.12 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.87 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti3+ and two equivalent Al3+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1302614
Report Number(s):
mp-774520
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; TiAlO3; Al-O-Ti

Citation Formats

The Materials Project. Materials Data on TiAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302614.
The Materials Project. Materials Data on TiAlO3 by Materials Project. United States. https://doi.org/10.17188/1302614
The Materials Project. Thu . "Materials Data on TiAlO3 by Materials Project". United States. https://doi.org/10.17188/1302614. https://www.osti.gov/servlets/purl/1302614.
@article{osti_1302614,
title = {Materials Data on TiAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.02 Å) and three longer (2.12 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.87 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1302614},
url = {https://www.osti.gov/biblio/1302614}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}