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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2MnS4 by Materials Project

MnYb2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Mn–S bond lengths are 2.23 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent Yb3+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2MnS4 by Materials Project

MnYb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Yb–S bond distances ranging from 2.72–3.10 Å. Mn2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Mn–S bond lengths are 2.33 Å. S2- is bonded in a 5-coordinate geometry to four equivalent Yb3+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗