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.
BaN2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten equivalent N1- atoms. There are a spread of Ba–N bond distances ranging from 2.67–3.11 Å. N1- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one N1- atom. The N–N bond length is 1.23 Å.
Al(CoSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co+2.50+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.27–2.43 Å. Al3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Al–Si bond lengths are 2.78 Å. Si4- is bonded in a 11-coordinate geometry to five equivalent Co+2.50+, three equivalent Al3+, and three equivalent Si4- atoms. All Si–Si bond lengths are 2.67 Å.
SnS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sn2+ is bonded to four equivalent S2- atoms to form corner-sharing SnS4 tetrahedra. All Sn–S bond lengths are 2.83 Å. S2- is bonded to four equivalent Sn2+ atoms to form corner-sharing SSn4 tetrahedra.
TaS2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
OsSi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Os–Si bond lengths are 2.56 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Os4+ atoms.
Ac is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Ac atoms to form a mixture of corner, edge, and face-sharing AcAc12 cuboctahedra. All Ac–Ac bond lengths are 4.00 Å.
ScC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent C3- atoms to form a mixture of corner and edge-sharing ScC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–C bond lengths are 2.34 Å. C3- is bonded to six equivalent Sc3+ atoms to form a mixture of corner and edge-sharing CSc6 octahedra. The corner-sharing octahedral tilt angles are 0°.
La is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to eight equivalent La atoms. All La–La bond lengths are 3.66 Å.
Ce is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Ce atoms. All Ce–Ce bond lengths are 3.27 Å.
Ru2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.47–2.88 Å. In the second Ru2+ site, Ru2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.45–2.86 Å. Si4- is bonded in a 10-coordinate geometry to ten Ru2+ atoms.
ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–Te bond lengths are 2.96 Å. Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted corner and edge-sharing TeSc6 pentagonal pyramids.
TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.
TbGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Ge atoms to form a mixture of distorted edge and face-sharing TbGe12 cuboctahedra. There are a spread of Tb–Ge bond distances ranging from 3.14–3.56 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.17 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three Ge atoms. There are two shorter (2.51 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the fourth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Tb and three Ge atoms.
RuC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent C4- atoms to form a mixture of distorted corner, edge, and face-sharing RuC6 pentagonal pyramids. All Ru–C bond lengths are 2.16 Å. C4- is bonded to six equivalent Ru4+ atoms to form a mixture of distorted corner, edge, and face-sharing CRu6 pentagonal pyramids.
OsGe2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Os is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.53–2.73 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to three equivalent Os and three equivalent Ge atoms. There are one shorter (2.41 Å) and two longer (2.72 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five equivalent Os atoms.
NbS2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbS2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.
Ce3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ce–Al bond lengths are 3.49 Å. Both Ce–C bond lengths are 2.47 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent CCe6 octahedra. C is bonded to six equivalent Ce atoms to form CCe6 octahedra that share corners with six equivalent CCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Co3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Co–Al bond lengths are 2.63 Å. Both Co–C bond lengths are 1.86 Å. Al is bonded to twelve equivalent Co atoms to form AlCo12 cuboctahedra that share corners with twelve equivalent AlCo12 cuboctahedra, faces with six equivalent AlCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent AlCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.