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Materials Data on Si3N4 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-29 收录
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https://www.osti.gov/servlets/purl/1207829/
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Si3N4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SiN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.75–1.99 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a see-saw-like geometry to four equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.
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2024-01-31
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