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

Title: Materials Data on TaAlO4 by Materials Project

Abstract

TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Ta–O bond distances ranging from 1.94–2.06 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Al–O bond distances ranging from 1.91–1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-760396
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; TaAlO4; Al-O-Ta
OSTI Identifier:
1291621
DOI:
10.17188/1291621

Citation Formats

The Materials Project. Materials Data on TaAlO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291621.
The Materials Project. Materials Data on TaAlO4 by Materials Project. United States. doi:10.17188/1291621.
The Materials Project. 2020. "Materials Data on TaAlO4 by Materials Project". United States. doi:10.17188/1291621. https://www.osti.gov/servlets/purl/1291621. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1291621,
title = {Materials Data on TaAlO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Ta–O bond distances ranging from 1.94–2.06 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Al–O bond distances ranging from 1.91–1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Al3+ atoms.},
doi = {10.17188/1291621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: