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Title: Materials Data on K2TaNbO6 by Materials Project

Abstract

K2TaNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent NbO6 octahedra. All K–O bond lengths are 2.86 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent K1+, one Ta5+, and one Nb5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1207114
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; K2TaNbO6; K-Nb-O-Ta
OSTI Identifier:
1696180
DOI:
https://doi.org/10.17188/1696180

Citation Formats

The Materials Project. Materials Data on K2TaNbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696180.
The Materials Project. Materials Data on K2TaNbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1696180
The Materials Project. 2020. "Materials Data on K2TaNbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1696180. https://www.osti.gov/servlets/purl/1696180. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1696180,
title = {Materials Data on K2TaNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TaNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent NbO6 octahedra. All K–O bond lengths are 2.86 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent K1+, one Ta5+, and one Nb5+ atom.},
doi = {10.17188/1696180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}