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Title: Materials Data on Sr(SiPd)6 by Materials Project

Abstract

Sr(PdSi)6 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional and consists of four strontium molecules and one PdSi framework. In the PdSi framework, there are two inequivalent Pd+2.33+ sites. In the first Pd+2.33+ site, Pd+2.33+ is bonded in a 5-coordinate geometry to five Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.45–2.62 Å. In the second Pd+2.33+ site, Pd+2.33+ is bonded in a 7-coordinate geometry to seven Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.44–2.98 Å. There are two inequivalent Si+2.67- sites. In the first Si+2.67- site, Si+2.67- is bonded in a 5-coordinate geometry to six Pd+2.33+ atoms. In the second Si+2.67- site, Si+2.67- is bonded in a 4-coordinate geometry to five Pd+2.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1218917
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr(SiPd)6; Pd-Si-Sr
OSTI Identifier:
1731309
DOI:
https://doi.org/10.17188/1731309

Citation Formats

The Materials Project. Materials Data on Sr(SiPd)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731309.
The Materials Project. Materials Data on Sr(SiPd)6 by Materials Project. United States. doi:https://doi.org/10.17188/1731309
The Materials Project. 2020. "Materials Data on Sr(SiPd)6 by Materials Project". United States. doi:https://doi.org/10.17188/1731309. https://www.osti.gov/servlets/purl/1731309. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1731309,
title = {Materials Data on Sr(SiPd)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(PdSi)6 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional and consists of four strontium molecules and one PdSi framework. In the PdSi framework, there are two inequivalent Pd+2.33+ sites. In the first Pd+2.33+ site, Pd+2.33+ is bonded in a 5-coordinate geometry to five Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.45–2.62 Å. In the second Pd+2.33+ site, Pd+2.33+ is bonded in a 7-coordinate geometry to seven Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.44–2.98 Å. There are two inequivalent Si+2.67- sites. In the first Si+2.67- site, Si+2.67- is bonded in a 5-coordinate geometry to six Pd+2.33+ atoms. In the second Si+2.67- site, Si+2.67- is bonded in a 4-coordinate geometry to five Pd+2.33+ atoms.},
doi = {10.17188/1731309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}