Search NASA⌕ Search

SEARCH · Search NASA

Results for “Ba3Ca”

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 Ba3Ca by Materials Project

Ba3Ca is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Ca atoms to form BaBa8Ca4 cuboctahedra that share corners with four equivalent CaBa12 cuboctahedra, corners with fourteen equivalent BaBa8Ca4 cuboctahedra, edges with six equivalent CaBa12 cuboctahedra, edges with twelve equivalent BaBa8Ca4 cuboctahedra, faces with four equivalent CaBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Ca4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.31–4.37 Å. There are two shorter (4.32 Å) and two longer (4.34 Å) Ba–Ca bond lengths. Ca is bonded to twelve equivalent Ba atoms to form CaBa12 cuboctahedra that share corners with six equivalent CaBa12 cuboctahedra, corners with twelve equivalent BaBa8Ca4 cuboctahedra, edges with eighteen equivalent BaBa8Ca4 cuboctahedra, faces with eight equivalent CaBa12 cuboctahedra, and faces with twelve equivalent BaBa8Ca4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Ca by Materials Project

Ba3Ca is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Ca atoms to form BaBa8Ca4 cuboctahedra that share corners with twelve equivalent BaBa8Ca4 cuboctahedra, edges with eight equivalent CaBa12 cuboctahedra, edges with sixteen BaBa8Ca4 cuboctahedra, faces with four equivalent CaBa12 cuboctahedra, and faces with fourteen BaBa8Ca4 cuboctahedra. There are four shorter (4.32 Å) and four longer (4.41 Å) Ba–Ba bond lengths. All Ba–Ca bond lengths are 4.41 Å. In the second Ba site, Ba is bonded to eight equivalent Ba and four equivalent Ca atoms to form BaBa8Ca4 cuboctahedra that share corners with four equivalent BaBa8Ca4 cuboctahedra, corners with eight equivalent CaBa12 cuboctahedra, edges with twenty-four BaBa8Ca4 cuboctahedra, faces with six equivalent CaBa12 cuboctahedra, and faces with twelve BaBa8Ca4 cuboctahedra. All Ba–Ca bond lengths are 4.32 Å. Ca is bonded to twelve Ba atoms to form CaBa12 cuboctahedra that share corners with four equivalent CaBa12 cuboctahedra, corners with eight equivalent BaBa8Ca4 cuboctahedra, edges with eight equivalent CaBa12 cuboctahedra, edges with sixteen equivalent BaBa8Ca4 cuboctahedra, faces with four equivalent CaBa12 cuboctahedra, and faces with fourteen BaBa8Ca4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Ca by Materials Project

Ba3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Ca atoms to form BaBa8Ca4 cuboctahedra that share corners with twelve equivalent BaBa8Ca4 cuboctahedra, edges with eight equivalent CaBa12 cuboctahedra, edges with sixteen equivalent BaBa8Ca4 cuboctahedra, faces with four equivalent CaBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Ca4 cuboctahedra. All Ba–Ba bond lengths are 4.38 Å. All Ba–Ca bond lengths are 4.38 Å. Ca is bonded to twelve equivalent Ba atoms to form CaBa12 cuboctahedra that share corners with twelve equivalent CaBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Ca4 cuboctahedra, faces with six equivalent CaBa12 cuboctahedra, and faces with twelve equivalent BaBa8Ca4 cuboctahedra.

36 MATERIALS SCIENCE↗