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Title: Materials Data on NaTaO3 by Materials Project

Abstract

NaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Na–O bond lengths are 2.82 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ta5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4170
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; NaTaO3; Na-O-Ta
OSTI Identifier:
1207914
DOI:
10.17188/1207914

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaTaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207914.
Persson, Kristin, & Project, Materials. Materials Data on NaTaO3 by Materials Project. United States. doi:10.17188/1207914.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaTaO3 by Materials Project". United States. doi:10.17188/1207914. https://www.osti.gov/servlets/purl/1207914. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207914,
title = {Materials Data on NaTaO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Na–O bond lengths are 2.82 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1207914},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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