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DOE OSTI · 1718399

Materials Data on Cr2GaS4 by Materials Project

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Abstract

Cr2GaS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr+2.50+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent GaS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ga–S bond lengths are 2.38 Å. S2- is bonded to three equivalent Cr+2.50+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SCr3Ga trigonal pyramids.

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36 MATERIALS SCIENCECr-Ga-SCr2GaS4crystal structure

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2020-05-02. Materials Data on Cr2GaS4 by Materials Project. https://doi.org/10.17188/1718399

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