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Title: Materials Data on LuBPd3 by Materials Project

Abstract

LuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form LuPd12 cuboctahedra that share corners with twelve equivalent LuPd12 cuboctahedra, faces with six equivalent LuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Lu–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 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 LuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-3105
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; LuBPd3; B-Lu-Pd
OSTI Identifier:
1205376
DOI:
https://doi.org/10.17188/1205376

Citation Formats

The Materials Project. Materials Data on LuBPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205376.
The Materials Project. Materials Data on LuBPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1205376
The Materials Project. 2020. "Materials Data on LuBPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1205376. https://www.osti.gov/servlets/purl/1205376. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205376,
title = {Materials Data on LuBPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {LuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form LuPd12 cuboctahedra that share corners with twelve equivalent LuPd12 cuboctahedra, faces with six equivalent LuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Lu–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 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 LuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1205376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}