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Title: Materials Data on Ba2NdNbO6 by Materials Project

Abstract

Ba2NdNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent NbO6 octahedra. All Ba–O bond lengths are 3.09 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.33 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Nd3+, and one Nb5+ atom.

Publication Date:
Other Number(s):
mp-12637
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; Ba2NdNbO6; Ba-Nb-Nd-O
OSTI Identifier:
1189100
DOI:
https://doi.org/10.17188/1189100

Citation Formats

The Materials Project. Materials Data on Ba2NdNbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189100.
The Materials Project. Materials Data on Ba2NdNbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1189100
The Materials Project. 2020. "Materials Data on Ba2NdNbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1189100. https://www.osti.gov/servlets/purl/1189100. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189100,
title = {Materials Data on Ba2NdNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2NdNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent NbO6 octahedra. All Ba–O bond lengths are 3.09 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.33 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Nd3+, and one Nb5+ atom.},
doi = {10.17188/1189100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}