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|a (TOE)ost1738433
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|a E 1.99:mp-1103787
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|a mp-1103787
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|a Materials Data on Si7(Ni2Au)2 by Materials Project
|h [electronic resource]
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|a Washington, D.C. :
|b United States. Department of Energy. Office of Science ;
|a Oak Ridge, Tenn. :
|b Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
|c 2020.
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|a :
|b digital, PDF file.
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|a text
|b txt
|2 rdacontent.
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|a computer
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|2 rdamedia.
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|a online resource
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|a Published through Scitech Connect.
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|a 05/02/2020.
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|a "mp-1103787."
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|a Persson, Kristin; Project, Materials;
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|a Si7(Ni2Au)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded in a body-centered cubic geometry to one Au1- and seven Si+0.57- atoms. The Ni?Au bond length is 2.63 ¿. There are a spread of Ni?Si bond distances ranging from 2.27?2.35 ¿. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a body-centered cubic geometry to two equivalent Au1- and six Si+0.57- atoms. There are one shorter (2.68 ¿) and one longer (2.70 ¿) Ni?Au bond lengths. There are a spread of Ni?Si bond distances ranging from 2.31?2.35 ¿. Au1- is bonded in a 9-coordinate geometry to three Ni+1.50+ and six Si+0.57- atoms. There are a spread of Au?Si bond distances ranging from 2.55?3.01 ¿. There are four inequivalent Si+0.57- sites. In the first Si+0.57- site, Si+0.57- is bonded in a 10-coordinate geometry to four Ni+1.50+, one Au1-, and two equivalent Si+0.57- atoms. Both Si?Si bond lengths are 2.71 ¿. In the second Si+0.57- site, Si+0.57- is bonded to four Ni+1.50+ and six Si+0.57- atoms to form a mixture of distorted edge, face, and corner-sharing SiSi6Ni4 tetrahedra. There are a spread of Si?Si bond distances ranging from 2.66?2.70 ¿. In the third Si+0.57- site, Si+0.57- is bonded in a 6-coordinate geometry to three Ni+1.50+, three equivalent Au1-, and two equivalent Si+0.57- atoms. In the fourth Si+0.57- site, Si+0.57- is bonded in a 10-coordinate geometry to four equivalent Ni+1.50+, four equivalent Au1-, and two equivalent Si+0.57- atoms.
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|b AC02-05CH11231.
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|b EDCBEE.
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|a 36 materials science
|2 local.
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|a Crystal structure
|2 local.
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|a Si7(ni2au)2
|2 local.
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|a Au-ni-si
|2 local.
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| 710 |
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|a Lawrence Berkeley National Laboratory.
|4 res.
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|a United States. Department of Energy. Office of Science.
|4 spn.
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|a United States.
|b Department of Energy.
|b Office of Scientific and Technical Information
|4 dst.
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|u https://www.osti.gov/servlets/purl/1738433
|z Full Text (via OSTI)
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|a .b117116373
|b 01-28-21
|c 01-28-21
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|a University of Colorado Boulder
|b Online
|c Online
|d Online
|e E 1.99:mp-1103787
|h Superintendent of Documents classification
|i web
|n 1
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