SEARCH · Engineering Papers

Results for “Ca-O-Zn”

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.

SourceResearch connectionFrom yearThrough year

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

3 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on CaZnO2 by Materials Project

ZnOCaO is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca2+ is bonded to four O2- atoms to form CaO4 tetrahedra that share corners with six equivalent CaO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There are three shorter (2.17 Å) and one longer (2.31 Å) Ca–O bond lengths. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent CaO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There are one shorter (1.97 Å) and three longer (2.12 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and three equivalent Zn2+ atoms to form corner-sharing OCaZn3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing OCa3Zn tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CaZnO3 by Materials Project

CaZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Ca–O bond lengths are 2.74 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Zn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CaZn2O8 by Materials Project

CaZn2O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca is bonded to eight O atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent CaO8 hexagonal bipyramids and corners with four equivalent ZnO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.37–2.62 Å. Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent CaO8 hexagonal bipyramids and corners with two equivalent ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.06 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ca, one Zn, and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ca, one Zn, and one O atom. The O–O bond length is 1.50 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn and one O atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one O atom.

36 MATERIALS SCIENCE↗