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Title: Materials Data on ScNb(PbO3)2 by Materials Project

Abstract

ScNb(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent NbO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a linear geometry to one Sc3+, one Nb5+, and four equivalent Pb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1219284
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; ScNb(PbO3)2; Nb-O-Pb-Sc
OSTI Identifier:
1708627
DOI:
https://doi.org/10.17188/1708627

Citation Formats

The Materials Project. Materials Data on ScNb(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708627.
The Materials Project. Materials Data on ScNb(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1708627
The Materials Project. 2020. "Materials Data on ScNb(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1708627. https://www.osti.gov/servlets/purl/1708627. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708627,
title = {Materials Data on ScNb(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScNb(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent NbO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a linear geometry to one Sc3+, one Nb5+, and four equivalent Pb2+ atoms.},
doi = {10.17188/1708627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}