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DOE OSTI · 1665053

Materials Data on HoFe2SiC by Materials Project

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Abstract

HoFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Ho–Si bond lengths. All Ho–C bond lengths are 2.57 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.36 Å. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Ho3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Ho3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CHo4Fe2 octahedra. The corner-sharing octahedral tilt angles are 23°.

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36 MATERIALS SCIENCEC-Fe-Ho-Sicrystal structureHoFe2SiC

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2020-07-23. Materials Data on HoFe2SiC by Materials Project. https://doi.org/10.17188/1665053

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