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Title: Materials Data on Mn3Pd5 by Materials Project

Abstract

Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are four shorter (2.62 Å) and four longer (2.75 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.73–2.79 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Mn atoms. In the third Pd site, Pd is bonded in a 6-coordinate geometry to six Mn atoms.

Publication Date:
Other Number(s):
mp-1078895
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; Mn3Pd5; Mn-Pd
OSTI Identifier:
1751148
DOI:
https://doi.org/10.17188/1751148

Citation Formats

The Materials Project. Materials Data on Mn3Pd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751148.
The Materials Project. Materials Data on Mn3Pd5 by Materials Project. United States. doi:https://doi.org/10.17188/1751148
The Materials Project. 2020. "Materials Data on Mn3Pd5 by Materials Project". United States. doi:https://doi.org/10.17188/1751148. https://www.osti.gov/servlets/purl/1751148. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751148,
title = {Materials Data on Mn3Pd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are four shorter (2.62 Å) and four longer (2.75 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.73–2.79 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Mn atoms. In the third Pd site, Pd is bonded in a 6-coordinate geometry to six Mn atoms.},
doi = {10.17188/1751148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}