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Title: Materials Data on SmBPd3 by Materials Project

Abstract

SmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share corners with twelve equivalent SmPd12 cuboctahedra, faces with six equivalent SmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Sm–Pd bond lengths are 3.08 Å. Pd is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.18 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent SmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3428
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; SmBPd3; B-Pd-Sm
OSTI Identifier:
1206755
DOI:
10.17188/1206755

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmBPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206755.
Persson, Kristin, & Project, Materials. Materials Data on SmBPd3 by Materials Project. United States. doi:10.17188/1206755.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmBPd3 by Materials Project". United States. doi:10.17188/1206755. https://www.osti.gov/servlets/purl/1206755. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206755,
title = {Materials Data on SmBPd3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share corners with twelve equivalent SmPd12 cuboctahedra, faces with six equivalent SmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Sm–Pd bond lengths are 3.08 Å. Pd is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.18 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent SmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1206755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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