Search NASA⌕ Search

SEARCH · Search NASA

Results for “Hf-Ni-Si”

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.

8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hf2Si4Ni3 by Materials Project

Hf2Ni3Si4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.78–3.05 Å. There are two inequivalent Ni+2.67+ sites. In the first Ni+2.67+ site, Ni+2.67+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are one shorter (2.29 Å) and four longer (2.37 Å) Ni–Si bond lengths. In the second Ni+2.67+ site, Ni+2.67+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are four shorter (2.31 Å) and two longer (2.48 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Hf4+, five Ni+2.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.81 Å. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Hf4+, three Ni+2.67+, and two equivalent Si4- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf(SiNi)2 by Materials Project

Hf(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Hf–Si bond lengths are 2.89 Å. Ni2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.26 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Hf4+, four equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf6Si7Ni16 by Materials Project

Ni16Hf6Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to eight Ni and four equivalent Si atoms. There are four shorter (2.74 Å) and four longer (2.77 Å) Hf–Ni bond lengths. All Hf–Si bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Hf, six Ni, and three equivalent Si atoms. There are three shorter (2.57 Å) and three longer (2.64 Å) Ni–Ni bond lengths. All Ni–Si bond lengths are 2.33 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Hf, six Ni, and four Si atoms. All Ni–Ni bond lengths are 2.69 Å. There are one shorter (2.33 Å) and three longer (2.52 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Hf and eight Ni atoms to form a mixture of face and corner-sharing SiHf4Ni8 cuboctahedra. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3Si3Ni2 by Materials Project

Hf3Ni2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to four equivalent Ni and five Si atoms. All Hf–Ni bond lengths are 2.96 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.91 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to four equivalent Ni and six Si atoms. There are a spread of Hf–Ni bond distances ranging from 2.84–3.04 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.84 Å. Ni is bonded in a 10-coordinate geometry to six Hf and four Si atoms. There are a spread of Ni–Si bond distances ranging from 2.28–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Hf, three equivalent Ni, and one Si atom. The Si–Si bond length is 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiNi by Materials Project

NiHfSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to six equivalent Ni and four equivalent Si atoms. All Hf–Ni bond lengths are 2.94 Å. All Hf–Si bond lengths are 2.54 Å. Ni is bonded in a distorted q6 geometry to six equivalent Hf and four equivalent Si atoms. All Ni–Si bond lengths are 2.54 Å. Si is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiNi by Materials Project

NiHfSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ni and five equivalent Si atoms. There are a spread of Hf–Ni bond distances ranging from 2.82–3.04 Å. There are a spread of Hf–Si bond distances ranging from 2.70–2.74 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Ni, and four equivalent Si atoms. Both Ni–Ni bond lengths are 2.76 Å. There are a spread of Ni–Si bond distances ranging from 2.35–2.49 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2SiNi3 by Materials Project

Hf2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to nine equivalent Ni and three equivalent Si atoms. There are three shorter (2.77 Å) and six longer (2.92 Å) Hf–Ni bond lengths. All Hf–Si bond lengths are 2.91 Å. Ni is bonded to six equivalent Hf, four equivalent Ni, and two equivalent Si atoms to form NiHf6Si2Ni4 cuboctahedra that share corners with four equivalent SiHf6Ni6 cuboctahedra, corners with fourteen equivalent NiHf6Si2Ni4 cuboctahedra, edges with six equivalent NiHf6Si2Ni4 cuboctahedra, faces with six equivalent SiHf6Ni6 cuboctahedra, and faces with twelve equivalent NiHf6Si2Ni4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.42 Å. Si is bonded to six equivalent Hf and six equivalent Ni atoms to form SiHf6Ni6 cuboctahedra that share corners with twelve equivalent NiHf6Si2Ni4 cuboctahedra, edges with six equivalent SiHf6Ni6 cuboctahedra, faces with two equivalent SiHf6Ni6 cuboctahedra, and faces with eighteen equivalent NiHf6Si2Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf4Si7Ni4 by Materials Project

Hf4Ni4Si7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to seven Si+2.86- atoms to form HfSi7 pentagonal bipyramids that share corners with eight equivalent NiSi6 octahedra, corners with eight HfSi7 pentagonal bipyramids, edges with three equivalent HfSi7 pentagonal bipyramids, faces with four equivalent NiSi6 octahedra, and faces with six HfSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Hf–Si bond distances ranging from 2.70–2.87 Å. In the second Hf4+ site, Hf4+ is bonded to seven Si+2.86- atoms to form HfSi7 pentagonal bipyramids that share corners with eight equivalent NiSi6 octahedra, corners with eight HfSi7 pentagonal bipyramids, an edgeedge with one HfSi7 pentagonal bipyramid, faces with four equivalent NiSi6 octahedra, and faces with six HfSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–52°. There are a spread of Hf–Si bond distances ranging from 2.69–2.87 Å. Ni1+ is bonded to six Si+2.86- atoms to form distorted NiSi6 octahedra that share corners with six equivalent NiSi6 octahedra, corners with eight HfSi7 pentagonal bipyramids, edges with three equivalent NiSi6 octahedra, faces with two equivalent NiSi6 octahedra, and faces with four HfSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.39 Å) and two longer (2.40 Å) Ni–Si bond lengths. There are four inequivalent Si+2.86- sites. In the first Si+2.86- site, Si+2.86- is bonded in a 6-coordinate geometry to one Hf4+, four equivalent Ni1+, and one Si+2.86- atom. The Si–Si bond length is 2.35 Å. In the second Si+2.86- site, Si+2.86- is bonded in a 10-coordinate geometry to eight Hf4+ and two equivalent Si+2.86- atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Si–Si bond lengths. In the third Si+2.86- site, Si+2.86- is bonded in a 9-coordinate geometry to five Hf4+ and four equivalent Ni1+ atoms. In the fourth Si+2.86- site, Si+2.86- is bonded in a 2-coordinate geometry to four Hf4+ and four equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗