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DOE OSTI · 1711773

Materials Data on Sm2MgS4 by Materials Project

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Abstract

MgSm2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–S bond lengths are 2.53 Å. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent SmS6 octahedra. All Sm–S bond lengths are 2.81 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Sm3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-S-SmSm2MgS4

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2020-04-30. Materials Data on Sm2MgS4 by Materials Project. https://doi.org/10.17188/1711773

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