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Title: Materials Data on MoPd4 by Materials Project

Abstract

MoPd4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with six PdPd12 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdPd12 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo3Pd9 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Pd bond lengths are 2.75 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with twelve PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra.more » There are six shorter (2.80 Å) and three longer (2.82 Å) Pd–Pd bond lengths. In the third Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the fourth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å. In the fifth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the sixth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å.« less

Publication Date:
Other Number(s):
mp-1221442
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; MoPd4; Mo-Pd
OSTI Identifier:
1727458
DOI:
https://doi.org/10.17188/1727458

Citation Formats

The Materials Project. Materials Data on MoPd4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727458.
The Materials Project. Materials Data on MoPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1727458
The Materials Project. 2020. "Materials Data on MoPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1727458. https://www.osti.gov/servlets/purl/1727458. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1727458,
title = {Materials Data on MoPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {MoPd4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Pd atoms to form MoMo6Pd6 cuboctahedra that share corners with six equivalent MoMo6Pd6 cuboctahedra, corners with six PdPd12 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdPd12 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve equivalent PdMo3Pd9 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Pd bond lengths are 2.75 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent Mo and nine Pd atoms to form PdMo3Pd9 cuboctahedra that share corners with twelve PdMo3Pd9 cuboctahedra, edges with six equivalent MoMo6Pd6 cuboctahedra, edges with eighteen PdMo3Pd9 cuboctahedra, faces with six equivalent MoMo6Pd6 cuboctahedra, and faces with twelve PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.82 Å) Pd–Pd bond lengths. In the third Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdMo3Pd9 cuboctahedra, and faces with eighteen PdMo3Pd9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the fourth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å. In the fifth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdPd12 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Pd–Pd bond lengths. In the sixth Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent MoMo6Pd6 cuboctahedra, corners with nine PdMo3Pd9 cuboctahedra, edges with three equivalent MoMo6Pd6 cuboctahedra, edges with twenty-one PdPd12 cuboctahedra, and faces with eighteen PdPd12 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.80–2.84 Å.},
doi = {10.17188/1727458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}