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Title: Materials Data on NdTaO3 by Materials Project

Abstract

NdTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Nd–O bond lengths are 2.87 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Ta3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186324
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; NdTaO3; Nd-O-Ta
OSTI Identifier:
1748357
DOI:
https://doi.org/10.17188/1748357

Citation Formats

The Materials Project. Materials Data on NdTaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748357.
The Materials Project. Materials Data on NdTaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1748357
The Materials Project. 2020. "Materials Data on NdTaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1748357. https://www.osti.gov/servlets/purl/1748357. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748357,
title = {Materials Data on NdTaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Nd–O bond lengths are 2.87 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Ta3+ atoms.},
doi = {10.17188/1748357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}