skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PrBPd3 by Materials Project

Abstract

PrPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form PrPd12 cuboctahedra that share corners with twelve equivalent PrPd12 cuboctahedra, faces with six equivalent PrPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Pr–Pd bond lengths are 3.11 Å. Pd is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.20 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 PrPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-2976
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; PrBPd3; B-Pd-Pr
OSTI Identifier:
1204223
DOI:
https://doi.org/10.17188/1204223

Citation Formats

The Materials Project. Materials Data on PrBPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204223.
The Materials Project. Materials Data on PrBPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1204223
The Materials Project. 2020. "Materials Data on PrBPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1204223. https://www.osti.gov/servlets/purl/1204223. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204223,
title = {Materials Data on PrBPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form PrPd12 cuboctahedra that share corners with twelve equivalent PrPd12 cuboctahedra, faces with six equivalent PrPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Pr–Pd bond lengths are 3.11 Å. Pd is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.20 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 PrPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1204223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}