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Title: Materials Data on Ti3Al2(SiO4)3 by Materials Project

Abstract

Ti3Al2(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.92 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ti2+, one Al3+, and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-4030
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti3Al2(SiO4)3; Al-O-Si-Ti
OSTI Identifier:
1320842
DOI:
https://doi.org/10.17188/1320842

Citation Formats

The Materials Project. Materials Data on Ti3Al2(SiO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320842.
The Materials Project. Materials Data on Ti3Al2(SiO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1320842
The Materials Project. 2020. "Materials Data on Ti3Al2(SiO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1320842. https://www.osti.gov/servlets/purl/1320842. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320842,
title = {Materials Data on Ti3Al2(SiO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Al2(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.92 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ti2+, one Al3+, and one Si4+ atom.},
doi = {10.17188/1320842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}