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Title: Materials Data on KNaEuTaO5 by Materials Project

Abstract

KNaEuTaO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.90 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent TaO5 trigonal bipyramids. There are four shorter (2.33 Å) and one longer (2.37 Å) Na–O bond lengths. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.48 Å. Ta5+ is bonded to five O2- atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.87 Å) and four longer (1.97 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Eu3+, and one Ta5+ atom. In the second O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 13°.

Authors:
Publication Date:
Other Number(s):
mp-1190133
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; KNaEuTaO5; Eu-K-Na-O-Ta
OSTI Identifier:
1708219
DOI:
https://doi.org/10.17188/1708219

Citation Formats

The Materials Project. Materials Data on KNaEuTaO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708219.
The Materials Project. Materials Data on KNaEuTaO5 by Materials Project. United States. doi:https://doi.org/10.17188/1708219
The Materials Project. 2019. "Materials Data on KNaEuTaO5 by Materials Project". United States. doi:https://doi.org/10.17188/1708219. https://www.osti.gov/servlets/purl/1708219. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708219,
title = {Materials Data on KNaEuTaO5 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaEuTaO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.90 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent TaO5 trigonal bipyramids. There are four shorter (2.33 Å) and one longer (2.37 Å) Na–O bond lengths. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.48 Å. Ta5+ is bonded to five O2- atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.87 Å) and four longer (1.97 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Eu3+, and one Ta5+ atom. In the second O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 13°.},
doi = {10.17188/1708219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}