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Title: Materials Data on ErBPd2Rh by Materials Project

Abstract

ErRhPd2B is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to four equivalent Rh and eight equivalent Pd atoms to form ErPd8Rh4 cuboctahedra that share corners with twelve equivalent ErPd8Rh4 cuboctahedra, faces with six equivalent ErPd8Rh4 cuboctahedra, and faces with eight equivalent BPd4Rh2 octahedra. All Er–Rh bond lengths are 3.05 Å. All Er–Pd bond lengths are 3.00 Å. Rh is bonded in a distorted linear geometry to four equivalent Er and two equivalent B atoms. Both Rh–B bond lengths are 2.08 Å. Pd is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. Both Pd–B bond lengths are 2.16 Å. B is bonded to two equivalent Rh and four equivalent Pd atoms to form BPd4Rh2 octahedra that share corners with six equivalent BPd4Rh2 octahedra and faces with eight equivalent ErPd8Rh4 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1225489
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ErBPd2Rh; B-Er-Pd-Rh
OSTI Identifier:
1672567
DOI:
https://doi.org/10.17188/1672567

Citation Formats

The Materials Project. Materials Data on ErBPd2Rh by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672567.
The Materials Project. Materials Data on ErBPd2Rh by Materials Project. United States. doi:https://doi.org/10.17188/1672567
The Materials Project. 2019. "Materials Data on ErBPd2Rh by Materials Project". United States. doi:https://doi.org/10.17188/1672567. https://www.osti.gov/servlets/purl/1672567. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1672567,
title = {Materials Data on ErBPd2Rh by Materials Project},
author = {The Materials Project},
abstractNote = {ErRhPd2B is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to four equivalent Rh and eight equivalent Pd atoms to form ErPd8Rh4 cuboctahedra that share corners with twelve equivalent ErPd8Rh4 cuboctahedra, faces with six equivalent ErPd8Rh4 cuboctahedra, and faces with eight equivalent BPd4Rh2 octahedra. All Er–Rh bond lengths are 3.05 Å. All Er–Pd bond lengths are 3.00 Å. Rh is bonded in a distorted linear geometry to four equivalent Er and two equivalent B atoms. Both Rh–B bond lengths are 2.08 Å. Pd is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. Both Pd–B bond lengths are 2.16 Å. B is bonded to two equivalent Rh and four equivalent Pd atoms to form BPd4Rh2 octahedra that share corners with six equivalent BPd4Rh2 octahedra and faces with eight equivalent ErPd8Rh4 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1672567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}