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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoSeO5 by Materials Project

CoSeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six O2- atoms to form distorted edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.67–2.40 Å. Se6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co4+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Co4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Co4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoSeO5 by Materials Project

CoSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Co–O bond distances ranging from 1.81–2.03 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co4+ and one Se6+ atom.

36 MATERIALS SCIENCE↗