Materials Data on Si7(Ni2Au)2 by Materials Project [electronic resource]
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Full Text (via OSTI) |
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| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2020.
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| Subjects: |
| Abstract: | 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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| Item Description: | Published through Scitech Connect. 05/02/2020. "mp-1103787." Persson, Kristin; Project, Materials; |
| Physical Description: | : digital, PDF file. |