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Title: Materials Data on FeMo3PdN by Materials Project

Abstract

Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

Publication Date:
Other Number(s):
mp-1225051
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; FeMo3PdN; Fe-Mo-N-Pd
OSTI Identifier:
1747168
DOI:
https://doi.org/10.17188/1747168

Citation Formats

The Materials Project. Materials Data on FeMo3PdN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747168.
The Materials Project. Materials Data on FeMo3PdN by Materials Project. United States. doi:https://doi.org/10.17188/1747168
The Materials Project. 2020. "Materials Data on FeMo3PdN by Materials Project". United States. doi:https://doi.org/10.17188/1747168. https://www.osti.gov/servlets/purl/1747168. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747168,
title = {Materials Data on FeMo3PdN by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.},
doi = {10.17188/1747168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}