Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CuSe3Br”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CuSe3Br by Materials Project

CuBrSe3 crystallizes in the orthorhombic Pmna space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuSe3 ribbons oriented in the (0, 0, 1) direction. In each CuSe3 ribbon, Cu1+ is bonded in a water-like geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Cu1+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Se2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2CuSe3Br by Materials Project

CuCr2Se3Br is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe3Br tetrahedra and edges with six equivalent CrSe4Br2 octahedra. All Cr–Se bond lengths are 2.54 Å. In the second Cr3+ site, Cr3+ is bonded to four equivalent Se2- and two equivalent Br1- atoms to form CrSe4Br2 octahedra that share corners with six equivalent CuSe3Br tetrahedra and edges with six CrSe6 octahedra. All Cr–Se bond lengths are 2.54 Å. Both Cr–Br bond lengths are 2.58 Å. Cu1+ is bonded to three equivalent Se2- and one Br1- atom to form CuSe3Br tetrahedra that share corners with twelve CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. All Cu–Se bond lengths are 2.39 Å. The Cu–Br bond length is 2.62 Å. Se2- is bonded in a rectangular see-saw-like geometry to three Cr3+ and one Cu1+ atom. Br1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2CuSe3Br by Materials Project

CuIn2Se3Br crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cu1+ is bonded to three Se2- and one Br1- atom to form CuSe3Br tetrahedra that share corners with eight InSe3Br tetrahedra. There are one shorter (2.40 Å) and two longer (2.41 Å) Cu–Se bond lengths. The Cu–Br bond length is 2.81 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Se2- and one Br1- atom to form InSe3Br tetrahedra that share corners with four equivalent CuSe3Br tetrahedra and corners with four equivalent InSe3Br tetrahedra. There are one shorter (2.61 Å) and two longer (2.62 Å) In–Se bond lengths. The In–Br bond length is 2.79 Å. In the second In3+ site, In3+ is bonded to three Se2- and one Br1- atom to form InSe3Br tetrahedra that share corners with four equivalent CuSe3Br tetrahedra and corners with four equivalent InSe3Br tetrahedra. There are a spread of In–Se bond distances ranging from 2.61–2.63 Å. The In–Br bond length is 2.78 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Cu1+ and two In3+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Cu1+ and two In3+ atoms. In the third Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Cu1+ and two In3+ atoms. Br1- is bonded in a trigonal non-coplanar geometry to one Cu1+ and two In3+ atoms.

36 MATERIALS SCIENCE↗