Materials Data on Sr(SiPd)6 by Materials Project

doi:10.17188/1731309

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

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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:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Sr(SiPd)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731309.

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                    The Materials Project. Materials Data on Sr(SiPd)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731309

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                    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

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@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         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1731309

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