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DOE OSTI · 1354974

Materials Data on FeBiAsO by Materials Project

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Abstract

FeAsBiO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one FeAs sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.37 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the FeAs sheet, Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.62 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms.

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36 MATERIALS SCIENCEAs-Bi-Fe-Ocrystal structureFeBiAsO

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2020-07-23. Materials Data on FeBiAsO by Materials Project. https://doi.org/10.17188/1354974

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