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Title: Materials Data on Sc3BPb by Materials Project

Abstract

PbBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Pb atoms. Both Sc–B bond lengths are 2.34 Å. All Sc–Pb bond lengths are 3.32 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

Publication Date:
Other Number(s):
mp-10133
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; Sc3BPb; B-Pb-Sc
OSTI Identifier:
1186664
DOI:
10.17188/1186664

Citation Formats

The Materials Project. Materials Data on Sc3BPb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186664.
The Materials Project. Materials Data on Sc3BPb by Materials Project. United States. doi:10.17188/1186664.
The Materials Project. 2020. "Materials Data on Sc3BPb by Materials Project". United States. doi:10.17188/1186664. https://www.osti.gov/servlets/purl/1186664. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1186664,
title = {Materials Data on Sc3BPb by Materials Project},
author = {The Materials Project},
abstractNote = {PbBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Pb atoms. Both Sc–B bond lengths are 2.34 Å. All Sc–Pb bond lengths are 3.32 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.},
doi = {10.17188/1186664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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