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Title: Materials Data on U2Ta6O19 by Materials Project

Abstract

U2Ta6O19 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form distorted edge-sharing UO6 octahedra. All U–O bond lengths are 2.26 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.92–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U4+ and one Ta5+ atom.

Publication Date:
Other Number(s):
mp-16002
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; U2Ta6O19; O-Ta-U
OSTI Identifier:
1191509
DOI:
https://doi.org/10.17188/1191509

Citation Formats

The Materials Project. Materials Data on U2Ta6O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191509.
The Materials Project. Materials Data on U2Ta6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1191509
The Materials Project. 2020. "Materials Data on U2Ta6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1191509. https://www.osti.gov/servlets/purl/1191509. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1191509,
title = {Materials Data on U2Ta6O19 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Ta6O19 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form distorted edge-sharing UO6 octahedra. All U–O bond lengths are 2.26 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.92–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U4+ and one Ta5+ atom.},
doi = {10.17188/1191509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}