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DOE OSTI · 1355497

Materials Data on Th2Fe2Si2C by Materials Project

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Abstract

Th2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Th–Si bond distances ranging from 3.03–3.13 Å. Both Th–C bond lengths are 2.65 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.33 Å. The Fe–C bond length is 1.81 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Th4+ and three equivalent Fe2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Fe2+ atoms to form distorted edge-sharing CTh4Fe2 octahedra.

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36 MATERIALS SCIENCEC-Fe-Si-Thcrystal structureTh2Fe2Si2C

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2020-07-23. Materials Data on Th2Fe2Si2C by Materials Project. https://doi.org/10.17188/1355497

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36 MATERIALS SCIENCE↗