Materials Data on CoOF by Materials Project

Kristin Persson
CoOF is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to three O2- and three F1- atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Co–O bond distances ranging from 1.85–1.94 Å. There are a spread of Co–F...
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