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DOE OSTI · 1277883

Materials Data on PrCuSO by Materials Project

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Abstract

(PrO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one PrO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the PrO sheet, Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pr–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureCu-O-Pr-SPrCuSO

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2020-07-16. Materials Data on PrCuSO by Materials Project. https://doi.org/10.17188/1277883

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