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DOE OSTI · 1683013

Materials Data on Pr2MgS4 by Materials Project

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Abstract

MgPr2S4 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 PrS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.55 Å. Pr3+ is bonded to six equivalent S2- atoms to form PrS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent PrS6 octahedra. All Pr–S bond lengths are 2.87 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Pr3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Pr-SPr2MgS4

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2020-04-30. Materials Data on Pr2MgS4 by Materials Project. https://doi.org/10.17188/1683013

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