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Title: Materials Data on Mg5(Si8Pd5)2 by Materials Project

Abstract

(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.

Publication Date:
Other Number(s):
mp-634984
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; Mg5(Si8Pd5)2; Mg-Pd-Si
OSTI Identifier:
1279528
DOI:
10.17188/1279528

Citation Formats

The Materials Project. Materials Data on Mg5(Si8Pd5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279528.
The Materials Project. Materials Data on Mg5(Si8Pd5)2 by Materials Project. United States. doi:10.17188/1279528.
The Materials Project. 2020. "Materials Data on Mg5(Si8Pd5)2 by Materials Project". United States. doi:10.17188/1279528. https://www.osti.gov/servlets/purl/1279528. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1279528,
title = {Materials Data on Mg5(Si8Pd5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.},
doi = {10.17188/1279528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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