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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on HfNiPb by Materials Project

HfNiPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded to six equivalent Ni and four equivalent Pb atoms to form a mixture of distorted corner and face-sharing HfNi6Pb4 tetrahedra. All Hf–Ni bond lengths are 3.13 Å. All Hf–Pb bond lengths are 2.71 Å. Ni is bonded in a 4-coordinate geometry to six equivalent Hf and four equivalent Pb atoms. All Ni–Pb bond lengths are 2.71 Å. Pb 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 Hf2IrRu by Materials Project

Hf2RuIr 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 Ru and four equivalent Ir atoms. All Hf–Ru bond lengths are 2.82 Å. All Hf–Ir bond lengths are 2.82 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

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DOE OSTI2020

Materials Data on Hf2ReTc by Materials Project

Hf2ReTc 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 Tc atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Tc bond lengths are 2.83 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Tc is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

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DOE OSTI2020

Materials Data on Rb3Hf by Materials Project

Rb3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Hf atoms to form distorted RbRb8Hf4 cuboctahedra that share corners with twelve equivalent RbRb8Hf4 cuboctahedra, edges with eight equivalent HfRb12 cuboctahedra, edges with sixteen RbRb8Hf4 cuboctahedra, faces with four equivalent HfRb12 cuboctahedra, and faces with fourteen RbRb8Hf4 cuboctahedra. There are four shorter (4.35 Å) and four longer (4.39 Å) Rb–Rb bond lengths. All Rb–Hf bond lengths are 4.35 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Hf atoms to form RbRb8Hf4 cuboctahedra that share corners with four equivalent RbRb8Hf4 cuboctahedra, corners with eight equivalent HfRb12 cuboctahedra, edges with twenty-four RbRb8Hf4 cuboctahedra, faces with six equivalent HfRb12 cuboctahedra, and faces with twelve RbRb8Hf4 cuboctahedra. All Rb–Hf bond lengths are 4.39 Å. Hf is bonded to twelve Rb atoms to form HfRb12 cuboctahedra that share corners with four equivalent HfRb12 cuboctahedra, corners with eight equivalent RbRb8Hf4 cuboctahedra, edges with eight equivalent HfRb12 cuboctahedra, edges with sixteen equivalent RbRb8Hf4 cuboctahedra, faces with four equivalent HfRb12 cuboctahedra, and faces with fourteen RbRb8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2RuRh by Materials Project

Hf2RuRh 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 Ru and four equivalent Rh atoms. All Hf–Ru bond lengths are 2.82 Å. All Hf–Rh bond lengths are 2.82 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2OsPd by Materials Project

Hf2OsPd 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 Os and four equivalent Pd atoms. All Hf–Os bond lengths are 2.85 Å. All Hf–Pd bond lengths are 2.85 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHf2Ir by Materials Project

LiHf2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Hf and six equivalent Ir atoms. All Li–Hf bond lengths are 2.83 Å. All Li–Ir bond lengths are 3.27 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Hf–Ir bond lengths are 2.83 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHf2Tc by Materials Project

LiHf2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Hf and six equivalent Tc atoms. All Li–Hf bond lengths are 2.84 Å. All Li–Tc bond lengths are 3.28 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Hf–Tc bond lengths are 2.84 Å. Tc is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2ReRh by Materials Project

Hf2ReRh 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 Rh atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Rh bond lengths are 2.83 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2TcOs by Materials Project

Hf2TcOs 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 Tc and four equivalent Os atoms. All Hf–Tc bond lengths are 2.82 Å. All Hf–Os bond lengths are 2.82 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Hf by Materials Project

Sm3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Hf atoms to form SmSm8Hf4 cuboctahedra that share corners with twelve equivalent SmSm8Hf4 cuboctahedra, edges with eight equivalent HfSm12 cuboctahedra, edges with sixteen SmSm8Hf4 cuboctahedra, faces with four equivalent HfSm12 cuboctahedra, and faces with fourteen SmSm8Hf4 cuboctahedra. There are four shorter (3.48 Å) and four longer (3.50 Å) Sm–Sm bond lengths. All Sm–Hf bond lengths are 3.48 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Hf atoms to form SmSm8Hf4 cuboctahedra that share corners with four equivalent SmSm8Hf4 cuboctahedra, corners with eight equivalent HfSm12 cuboctahedra, edges with twenty-four SmSm8Hf4 cuboctahedra, faces with six equivalent HfSm12 cuboctahedra, and faces with twelve SmSm8Hf4 cuboctahedra. All Sm–Hf bond lengths are 3.50 Å. Hf is bonded to twelve Sm atoms to form HfSm12 cuboctahedra that share corners with four equivalent HfSm12 cuboctahedra, corners with eight equivalent SmSm8Hf4 cuboctahedra, edges with eight equivalent HfSm12 cuboctahedra, edges with sixteen equivalent SmSm8Hf4 cuboctahedra, faces with four equivalent HfSm12 cuboctahedra, and faces with fourteen SmSm8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCoAs by Materials Project

HfCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Co and five equivalent As atoms. There are a spread of Hf–Co bond distances ranging from 2.83–3.07 Å. There are three shorter (2.72 Å) and two longer (2.75 Å) Hf–As bond lengths. Co is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Co, and four equivalent As atoms. Both Co–Co bond lengths are 2.78 Å. There are a spread of Co–As bond distances ranging from 2.39–2.47 Å. As is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHfO3 by Materials Project

KHfO3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. K is bonded to twelve O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. There are a spread of K–O bond distances ranging from 2.94–2.98 Å. Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Hf–O bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent K and two equivalent Hf atoms. In the second O site, O is bonded in a distorted linear geometry to four equivalent K and two equivalent Hf atoms. In the third O site, O is bonded in a distorted linear geometry to four equivalent K and two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfVSi by Materials Project

HfVSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Si atoms. All Hf–V bond lengths are 3.17 Å. There are four shorter (2.71 Å) and one longer (2.82 Å) Hf–Si bond lengths. V is bonded in a 12-coordinate geometry to four equivalent Hf, four equivalent V, and four equivalent Si atoms. All V–V bond lengths are 2.59 Å. All V–Si bond lengths are 2.55 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGaCu by Materials Project

HfCuGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to six equivalent Cu and six equivalent Ga atoms to form a mixture of face and edge-sharing HfGa6Cu6 cuboctahedra. All Hf–Cu bond lengths are 2.91 Å. All Hf–Ga bond lengths are 2.91 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Cu–Ga bond lengths are 2.44 Å. Ga is bonded in a 3-coordinate geometry to six equivalent Hf and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfNi2Sb by Materials Project

HfNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sb atoms. All Hf–Ni bond lengths are 2.65 Å. All Hf–Sb bond lengths are 3.18 Å. Ni is bonded in a 8-coordinate geometry to three equivalent Hf, one Ni, and four equivalent Sb atoms. The Ni–Ni bond length is 2.37 Å. There are one shorter (2.59 Å) and three longer (2.82 Å) Ni–Sb bond lengths. Sb is bonded in a 2-coordinate geometry to six equivalent Hf and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGeMo by Materials Project

HfMoGe 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 Ge atoms. There are two shorter (2.99 Å) and two longer (3.13 Å) Hf–Mo bond lengths. There are a spread of Hf–Ge bond distances ranging from 2.77–2.94 Å. Mo is bonded in a 12-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.57–2.72 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Mo 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↗