SEARCH · Engineering Papers
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.
NaTl is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two NaTl frameworks. Na is bonded to four equivalent Tl atoms to form distorted corner-sharing NaTl4 tetrahedra. All Na–Tl bond lengths are 3.32 Å. Tl is bonded to four equivalent Na atoms to form distorted corner-sharing TlNa4 tetrahedra.
Na2Tl crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four Tl atoms. Both Na–Na bond lengths are 3.46 Å. There are two shorter (3.35 Å) and two longer (3.42 Å) Na–Tl bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six Tl atoms. There are a spread of Na–Na bond distances ranging from 3.35–3.65 Å. There are a spread of Na–Tl bond distances ranging from 3.38–3.65 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five Tl atoms. There are a spread of Na–Na bond distances ranging from 3.58–3.95 Å. There are a spread of Na–Tl bond distances ranging from 3.44–3.76 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.20–3.32 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.34–3.50 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 12-coordinate geometry to nine Na and three Tl atoms. There are two shorter (3.29 Å) and one longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 11-coordinate geometry to eight Na and three Tl atoms. The Tl–Tl bond length is 3.28 Å.
Na3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eight equivalent TlNa12 cuboctahedra, edges with sixteen equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Tl4 cuboctahedra. All Na–Na bond lengths are 3.52 Å. All Na–Tl bond lengths are 3.52 Å. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with twelve equivalent TlNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Tl4 cuboctahedra, faces with six equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.
Na3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Tl atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Tl4 tetrahedra. All Na–Na bond lengths are 3.42 Å. All Na–Tl bond lengths are 3.42 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Na atoms.
NaTl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 11-coordinate geometry to four equivalent Na and seven Tl atoms. There are three shorter (3.46 Å) and one longer (3.55 Å) Na–Na bond lengths. There are one shorter (3.39 Å) and six longer (3.54 Å) Na–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Tl atoms. All Tl–Tl bond lengths are 3.06 Å. In the second Tl site, Tl is bonded in a 11-coordinate geometry to eight equivalent Na and three equivalent Tl atoms.
Na3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with four equivalent TlNa12 cuboctahedra, corners with fourteen equivalent NaNa8Tl4 cuboctahedra, edges with six equivalent TlNa12 cuboctahedra, edges with twelve equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Tl4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.38–3.62 Å. There are two shorter (3.50 Å) and two longer (3.52 Å) Na–Tl bond lengths. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with six equivalent TlNa12 cuboctahedra, corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eighteen equivalent NaNa8Tl4 cuboctahedra, faces with eight equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.