Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cu3BO5”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu3BO5 by Materials Project

Cu3BO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.92–2.42 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.92–2.62 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–2.74 Å. In the fourth Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (1.94 Å) Cu–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Cu+2.33+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cu+2.33+ and one B3+ atom. In the third O2- site, O2- is bonded to four Cu+2.33+ atoms to form distorted corner-sharing OCu4 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Cu+2.33+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Cu+2.33+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3BO5 by Materials Project

Cu3BO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.93 Å) Cu–O bond length. In the second Cu+2.33+ site, Cu+2.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Cu–O bond distances ranging from 1.92–2.62 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–1.93 Å. In the fourth Cu+2.33+ site, Cu+2.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.33+ and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Cu+2.33+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five Cu+2.33+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.33+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.33+ and one B3+ atom.

36 MATERIALS SCIENCE↗