Materials Data on CoSeO5 by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1704840· OSTI ID:1704840

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1704840
• Report Number(s): mp-1213781
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-O-Se
CoSeO5
crystal structure