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Title: Materials Data on Mo3Pd2N by Materials Project

Abstract

Mo3Pd2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a bent 150 degrees geometry to six equivalent Pd and two equivalent N atoms. There are a spread of Mo–Pd bond distances ranging from 2.78–2.92 Å. Both Mo–N bond lengths are 2.16 Å. Pd is bonded to nine equivalent Mo and three equivalent Pd atoms to form PdMo9Pd3 cuboctahedra that share corners with fifteen equivalent PdMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PdMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pd–Pd bond lengths are 2.59 Å. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PdMo9Pd3 cuboctahedra, and faces with eight equivalent PdMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

Publication Date:
Other Number(s):
mp-542154
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; Mo3Pd2N; Mo-N-Pd
OSTI Identifier:
1266435
DOI:
10.17188/1266435

Citation Formats

The Materials Project. Materials Data on Mo3Pd2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266435.
The Materials Project. Materials Data on Mo3Pd2N by Materials Project. United States. doi:10.17188/1266435.
The Materials Project. 2020. "Materials Data on Mo3Pd2N by Materials Project". United States. doi:10.17188/1266435. https://www.osti.gov/servlets/purl/1266435. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1266435,
title = {Materials Data on Mo3Pd2N by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3Pd2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a bent 150 degrees geometry to six equivalent Pd and two equivalent N atoms. There are a spread of Mo–Pd bond distances ranging from 2.78–2.92 Å. Both Mo–N bond lengths are 2.16 Å. Pd is bonded to nine equivalent Mo and three equivalent Pd atoms to form PdMo9Pd3 cuboctahedra that share corners with fifteen equivalent PdMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PdMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pd–Pd bond lengths are 2.59 Å. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PdMo9Pd3 cuboctahedra, and faces with eight equivalent PdMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.},
doi = {10.17188/1266435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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