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DOE OSTI · 1685275

Materials Data on NdCoAsO by Materials Project

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Abstract

NdOCoAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoAs sheet oriented in the (0, 0, 1) direction and one NdO sheet oriented in the (0, 0, 1) direction. In the CoAs sheet, Co2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.31 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the NdO sheet, Nd3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Nd–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

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36 MATERIALS SCIENCEAs-Co-Nd-Ocrystal structureNdCoAsO

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2020-05-03. Materials Data on NdCoAsO by Materials Project. https://doi.org/10.17188/1685275

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