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Title: Materials Data on Ta4O by Materials Project

Abstract

Ta4O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent O atoms. All Ta–O bond lengths are 2.30 Å. In the second Ta site, Ta is bonded in a single-bond geometry to four equivalent Ta and one O atom. All Ta–Ta bond lengths are 2.81 Å. The Ta–O bond length is 2.10 Å. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. O is bonded to six Ta atoms to form a mixture of edge and corner-sharing OTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-29727
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; Ta4O; O-Ta
OSTI Identifier:
1204199
DOI:
https://doi.org/10.17188/1204199

Citation Formats

The Materials Project. Materials Data on Ta4O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204199.
The Materials Project. Materials Data on Ta4O by Materials Project. United States. doi:https://doi.org/10.17188/1204199
The Materials Project. 2020. "Materials Data on Ta4O by Materials Project". United States. doi:https://doi.org/10.17188/1204199. https://www.osti.gov/servlets/purl/1204199. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204199,
title = {Materials Data on Ta4O by Materials Project},
author = {The Materials Project},
abstractNote = {Ta4O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent O atoms. All Ta–O bond lengths are 2.30 Å. In the second Ta site, Ta is bonded in a single-bond geometry to four equivalent Ta and one O atom. All Ta–Ta bond lengths are 2.81 Å. The Ta–O bond length is 2.10 Å. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. O is bonded to six Ta atoms to form a mixture of edge and corner-sharing OTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1204199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}