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DOE OSTI · 1271387

Materials Data on Y2ZnS4 by Materials Project

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Abstract

Y2ZnS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent YS6 octahedra. All Y–S bond lengths are 2.74 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Zn–S bond lengths are 2.42 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Y3+ and one Zn2+ atom.

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36 MATERIALS SCIENCEcrystal structureS-Y-ZnY2ZnS4

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2020-05-03. Materials Data on Y2ZnS4 by Materials Project. https://doi.org/10.17188/1271387

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