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DOE OSTI · 1281454

Materials Data on Nd2Fe2Si2C by Materials Project

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Abstract

Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.

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36 MATERIALS SCIENCEC-Fe-Nd-Sicrystal structureNd2Fe2Si2C

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2020-07-15. Materials Data on Nd2Fe2Si2C by Materials Project. https://doi.org/10.17188/1281454

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36 MATERIALS SCIENCE↗