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DOE OSTI · 1655666

Materials Data on SmThN2 by Materials Project

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Abstract

ThSmN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th4+ is bonded to six equivalent N3- atoms to form ThN6 octahedra that share corners with six equivalent SmN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent SmN6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Th–N bond lengths are 2.54 Å. Sm2+ is bonded to six equivalent N3- atoms to form SmN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent SmN6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–N bond lengths are 2.59 Å. N3- is bonded to three equivalent Th4+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureN-Sm-ThSmThN2

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2020-07-23. Materials Data on SmThN2 by Materials Project. https://doi.org/10.17188/1655666

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