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At least 649 records · Page 36
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DOE OSTI2020

Materials Data on HfSiTe by Materials Project

HfSiTe crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one HfSiTe sheet oriented in the (0, 0, 1) direction. Hf is bonded in a 8-coordinate geometry to four equivalent Si and four equivalent Te atoms. All Hf–Si bond lengths are 2.79 Å. All Hf–Te bond lengths are 2.94 Å. Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.59 Å. Te is bonded in a 4-coordinate geometry to four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGeTe by Materials Project

HfGeTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Te atoms. All Hf–Ge bond lengths are 2.87 Å. There are four shorter (2.98 Å) and one longer (3.20 Å) Hf–Te bond lengths. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.76 Å. Te is bonded in a 5-coordinate geometry to five equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBe5 by Materials Project

Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCo2Sn by Materials Project

HfCo2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All Hf–Co bond lengths are 2.71 Å. All Hf–Sn bond lengths are 3.13 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Sn atoms. All Co–Sn bond lengths are 2.71 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Hf and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSnPt by Materials Project

HfPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Sn atoms. All Hf–Pt bond lengths are 2.82 Å. All Hf–Sn bond lengths are 2.82 Å. Pt is bonded to four equivalent Hf and six equivalent Sn atoms to form distorted PtHf4Sn6 tetrahedra that share corners with four equivalent SnHf4Pt6 tetrahedra, corners with six equivalent PtHf4Sn6 tetrahedra, edges with six equivalent SnHf4Pt6 tetrahedra, and faces with twelve equivalent PtHf4Sn6 tetrahedra. All Pt–Sn bond lengths are 3.26 Å. Sn is bonded to four equivalent Hf and six equivalent Pt atoms to form distorted SnHf4Pt6 tetrahedra that share corners with four equivalent PtHf4Sn6 tetrahedra, corners with six equivalent SnHf4Pt6 tetrahedra, edges with six equivalent PtHf4Sn6 tetrahedra, and faces with twelve equivalent SnHf4Pt6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2InC by Materials Project

Hf2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Hf–In bond lengths are 3.16 Å. All Hf–C bond lengths are 2.27 Å. In is bonded to six equivalent Hf atoms to form distorted InHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent InHf6 cuboctahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiMo by Materials Project

MoSiHf is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Mo and five equivalent Si atoms. There are two shorter (2.97 Å) and two longer (3.08 Å) Hf–Mo bond lengths. There are a spread of Hf–Si bond distances ranging from 2.74–2.91 Å. Mo is bonded in a 12-coordinate geometry to four equivalent Hf and four equivalent Si atoms. There are a spread of Mo–Si bond distances ranging from 2.52–2.69 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Mo atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfFeP by Materials Project

HfFeP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Hf–Fe bond distances ranging from 2.78–2.93 Å. There are a spread of Hf–P bond distances ranging from 2.66–2.68 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Hf and four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.29–2.42 Å. P is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCuSi by Materials Project

HfCuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Cu and five equivalent Si atoms. There are a spread of Hf–Cu bond distances ranging from 2.83–2.98 Å. There are a spread of Hf–Si bond distances ranging from 2.75–2.80 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Si atoms. There are a spread of Cu–Si bond distances ranging from 2.37–2.52 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3Nb2Ga3 by Materials Project

Hf3Nb2Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent Nb and five equivalent Ga atoms. All Hf–Nb bond lengths are 3.35 Å. There are a spread of Hf–Ga bond distances ranging from 2.75–2.98 Å. Nb is bonded in a 6-coordinate geometry to six equivalent Hf, two equivalent Nb, and six equivalent Ga atoms. Both Nb–Nb bond lengths are 2.73 Å. All Nb–Ga bond lengths are 2.79 Å. Ga is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSbRu by Materials Project

HfRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing HfSb6Ru4 tetrahedra. All Hf–Ru bond lengths are 2.74 Å. All Hf–Sb bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.74 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGaNi2 by Materials Project

HfNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Hf–Ni bond lengths are 2.63 Å. All Hf–Ga bond lengths are 3.04 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.63 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGaCo2 by Materials Project

Co2HfGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ga atoms. All Hf–Co bond lengths are 2.61 Å. All Hf–Ga bond lengths are 3.02 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Ga atoms. All Co–Ga bond lengths are 2.61 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Hf and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfNi2Sn by Materials Project

HfNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Hf–Ni bond lengths are 2.72 Å. All Hf–Sn bond lengths are 3.14 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.72 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Hf and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2SnC by Materials Project

Hf2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Hf–Sn bond lengths are 3.08 Å. All Hf–C bond lengths are 2.29 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Hf atoms. C is bonded to six equivalent Hf atoms to form edge-sharing CHf6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2ReNi by Materials Project

Hf2ReNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ni atoms. All Hf–Re bond lengths are 2.80 Å. All Hf–Ni bond lengths are 2.80 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2SbP by Materials Project

Hf2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to three equivalent Sb and three equivalent P atoms to form a mixture of face, edge, and corner-sharing HfSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Hf–Sb bond lengths are 2.94 Å. All Hf–P bond lengths are 2.58 Å. Sb is bonded to six equivalent Hf atoms to form distorted SbHf6 pentagonal pyramids that share corners with six equivalent PHf6 octahedra, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P is bonded to six equivalent Hf atoms to form PHf6 octahedra that share corners with six equivalent SbHf6 pentagonal pyramids, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfAl3 by Materials Project

Al3Hf is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Al atoms to form HfAl12 cuboctahedra that share corners with four equivalent AlHf4Al8 cuboctahedra, corners with eight equivalent HfAl12 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with twenty AlHf4Al8 cuboctahedra, faces with five equivalent HfAl12 cuboctahedra, and faces with thirteen AlHf4Al8 cuboctahedra. There are a spread of Hf–Al bond distances ranging from 2.83–3.00 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Hf and eight Al atoms to form distorted AlHf4Al8 cuboctahedra that share corners with four equivalent HfAl12 cuboctahedra, corners with eight equivalent AlHf4Al8 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with twenty AlHf4Al8 cuboctahedra, faces with five equivalent HfAl12 cuboctahedra, and faces with thirteen AlHf4Al8 cuboctahedra. There are four shorter (2.93 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Hf and eight Al atoms to form distorted AlHf4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with eight equivalent HfAl12 cuboctahedra, edges with sixteen AlHf4Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded to four equivalent Hf and eight Al atoms to form AlHf4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with eight equivalent HfAl12 cuboctahedra, edges with sixteen AlHf4Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗