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

Abstract

ScTa(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 TaO6 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. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 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 Ta–O bond lengths are 2.00 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 TaO6 octahedra. All Pb–O bond lengths are 2.90 Å. O2- is bonded in a linear geometry to one Sc3+, one Ta5+, and four equivalent Pb2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-550579
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; ScTa(PbO3)2; O-Pb-Sc-Ta
OSTI Identifier:
1267429
DOI:
10.17188/1267429

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ScTa(PbO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267429.
Persson, Kristin, & Project, Materials. Materials Data on ScTa(PbO3)2 by Materials Project. United States. doi:10.17188/1267429.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ScTa(PbO3)2 by Materials Project". United States. doi:10.17188/1267429. https://www.osti.gov/servlets/purl/1267429. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267429,
title = {Materials Data on ScTa(PbO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ScTa(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 TaO6 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. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 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 Ta–O bond lengths are 2.00 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 TaO6 octahedra. All Pb–O bond lengths are 2.90 Å. O2- is bonded in a linear geometry to one Sc3+, one Ta5+, and four equivalent Pb2+ atoms.},
doi = {10.17188/1267429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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