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DOE OSTI · 1195595

Materials Data on As2Pd by Materials Project

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Abstract

PdAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent As2- atoms to form PdAs6 octahedra that share corners with twelve equivalent PdAs6 octahedra and corners with six equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Pd–As bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one As2- atom to form AsAsPd3 tetrahedra that share corners with three equivalent PdAs6 octahedra and corners with fifteen equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.46 Å.

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36 MATERIALS SCIENCEAs-PdAs2Pdcrystal structure

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2020-07-16. Materials Data on As2Pd by Materials Project. https://doi.org/10.17188/1195595

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