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

Title: Materials Data on Ta2O5 by Materials Project

Abstract

Ta2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 27–55°. There are a spread of Ta–O bond distances ranging from 1.85–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-10390
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; Ta2O5; O-Ta
OSTI Identifier:
1187085
DOI:
https://doi.org/10.17188/1187085

Citation Formats

The Materials Project. Materials Data on Ta2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187085.
The Materials Project. Materials Data on Ta2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1187085
The Materials Project. 2020. "Materials Data on Ta2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1187085. https://www.osti.gov/servlets/purl/1187085. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187085,
title = {Materials Data on Ta2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 27–55°. There are a spread of Ta–O bond distances ranging from 1.85–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.},
doi = {10.17188/1187085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}