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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2MgS4 by Materials Project

MgYb2S4 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 YbS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.47 Å. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent YbS6 octahedra. All Yb–S bond lengths are 2.78 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2MgS4 by Materials Project

MgYb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Mg–S bond lengths are 2.53 Å. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.85–2.93 Å. S2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗