Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ba3Na”

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 Ba3Na by Materials Project

NaBa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ba atoms to form NaBa12 cuboctahedra that share corners with twelve equivalent NaBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Na4 cuboctahedra, faces with six equivalent NaBa12 cuboctahedra, and faces with twelve equivalent BaBa8Na4 cuboctahedra. All Na–Ba bond lengths are 4.39 Å. Ba is bonded to four equivalent Na and eight equivalent Ba atoms to form BaBa8Na4 cuboctahedra that share corners with twelve equivalent BaBa8Na4 cuboctahedra, edges with eight equivalent NaBa12 cuboctahedra, edges with sixteen equivalent BaBa8Na4 cuboctahedra, faces with four equivalent NaBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Na4 cuboctahedra. All Ba–Ba bond lengths are 4.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Na by Materials Project

NaBa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Ba atoms to form NaBa12 cuboctahedra that share corners with four equivalent NaBa12 cuboctahedra, corners with eight equivalent BaBa8Na4 cuboctahedra, edges with eight equivalent NaBa12 cuboctahedra, edges with sixteen equivalent BaBa8Na4 cuboctahedra, faces with four equivalent NaBa12 cuboctahedra, and faces with fourteen BaBa8Na4 cuboctahedra. There are four shorter (4.22 Å) and eight longer (4.46 Å) Na–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Na and eight Ba atoms to form BaBa8Na4 cuboctahedra that share corners with twelve equivalent BaBa8Na4 cuboctahedra, edges with eight equivalent NaBa12 cuboctahedra, edges with sixteen BaBa8Na4 cuboctahedra, faces with four equivalent NaBa12 cuboctahedra, and faces with fourteen BaBa8Na4 cuboctahedra. There are four shorter (4.22 Å) and four longer (4.46 Å) Ba–Ba bond lengths. In the second Ba site, Ba is bonded to four equivalent Na and eight equivalent Ba atoms to form BaBa8Na4 cuboctahedra that share corners with four equivalent BaBa8Na4 cuboctahedra, corners with eight equivalent NaBa12 cuboctahedra, edges with twenty-four BaBa8Na4 cuboctahedra, faces with six equivalent NaBa12 cuboctahedra, and faces with twelve BaBa8Na4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Na(SiO4)2 by Materials Project

NaBa3(SiO4)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are two shorter (2.39 Å) and four longer (2.40 Å) Na–O bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.84–2.95 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.62–3.16 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent NaO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–23°. There is three shorter (1.64 Å) and one longer (1.66 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Ba atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Na, four Ba, and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Na, four Ba, and one Si atom.

36 MATERIALS SCIENCE↗