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At least 667 records · Page 37
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DOE OSTI2020

Materials Data on HfCuP by Materials Project

HfCuP is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to three equivalent Cu and three equivalent P atoms. All Hf–Cu bond lengths are 2.83 Å. All Hf–P bond lengths are 2.50 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Hf and one P atom. The Cu–P bond length is 2.25 Å. P is bonded in a rectangular see-saw-like geometry to three equivalent Hf and one Cu atom.

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Materials Data on HfCoSb by Materials Project

HfCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded to six equivalent Co and four equivalent Sb atoms to form a mixture of distorted face and corner-sharing HfCo6Sb4 tetrahedra. All Hf–Co bond lengths are 3.15 Å. All Hf–Sb bond lengths are 2.73 Å. Co is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Sb atoms. All Co–Sb bond lengths are 2.73 Å. Sb is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Co atoms.

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Materials Data on HfInCu2 by Materials Project

HfCu2In 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 eight equivalent Cu and six equivalent In atoms. All Hf–Cu bond lengths are 2.77 Å. All Hf–In bond lengths are 3.20 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Cu–In bond lengths are 2.77 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Cu atoms.

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DOE OSTI2020

Materials Data on HfMoSe by Materials Project

HfMoSe 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 Mo and four equivalent Se atoms. All Hf–Mo bond lengths are 2.75 Å. All Hf–Se bond lengths are 2.75 Å. Mo is bonded to four equivalent Hf atoms to form distorted MoHf4 tetrahedra that share corners with four equivalent SeHf4 tetrahedra, corners with twelve equivalent MoHf4 tetrahedra, and edges with six equivalent SeHf4 tetrahedra. Se is bonded to four equivalent Hf atoms to form distorted SeHf4 tetrahedra that share corners with four equivalent MoHf4 tetrahedra, corners with twelve equivalent SeHf4 tetrahedra, and edges with six equivalent MoHf4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHfNi by Materials Project

KHfNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ni atoms. All K–Hf bond lengths are 2.81 Å. All K–Ni bond lengths are 2.81 Å. Hf is bonded in a 4-coordinate geometry to four equivalent K and six equivalent Ni atoms. All Hf–Ni bond lengths are 3.25 Å. Ni is bonded to four equivalent K and six equivalent Hf atoms to form a mixture of distorted face and corner-sharing NiK4Hf6 tetrahedra.

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DOE OSTI2020

Materials Data on HfMnTl by Materials Project

HfMnTl 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 Mn and four equivalent Tl atoms. All Hf–Mn bond lengths are 2.80 Å. All Hf–Tl bond lengths are 2.80 Å. Mn is bonded to four equivalent Hf atoms to form distorted MnHf4 tetrahedra that share corners with four equivalent TlHf4 tetrahedra, corners with twelve equivalent MnHf4 tetrahedra, and edges with six equivalent TlHf4 tetrahedra. Tl is bonded to four equivalent Hf atoms to form distorted TlHf4 tetrahedra that share corners with four equivalent MnHf4 tetrahedra, corners with twelve equivalent TlHf4 tetrahedra, and edges with six equivalent MnHf4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrHfRe2 by Materials Project

SrHfRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Hf and ten Re atoms. All Sr–Hf bond lengths are 2.92 Å. There are four shorter (2.92 Å) and six longer (3.37 Å) Sr–Re bond lengths. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Re atoms. All Hf–Re bond lengths are 2.92 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Sr and four equivalent Re atoms to form distorted ReSr4Re4 tetrahedra that share corners with twelve equivalent ReSr6Hf4Re4 tetrahedra, edges with twelve equivalent ReSr4Re4 tetrahedra, and faces with four equivalent ReSr6Hf4Re4 tetrahedra. All Re–Re bond lengths are 2.92 Å. In the second Re site, Re is bonded to six equivalent Sr, four equivalent Hf, and four equivalent Re atoms to form distorted ReSr6Hf4Re4 tetrahedra that share corners with eighteen ReSr4Re4 tetrahedra and faces with sixteen ReSr6Hf4Re4 tetrahedra.

36 MATERIALS SCIENCE↗
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Materials Data on HfSi2Br by Materials Project

HfSi2Br 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 Si and six equivalent Br atoms. All Hf–Si bond lengths are 2.94 Å. All Hf–Br bond lengths are 3.39 Å. Si is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Br atoms. All Si–Br bond lengths are 2.94 Å. Br is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Si atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CaHfBe by Materials Project

CaBeHf is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Be and six equivalent Hf atoms to form a mixture of distorted corner and face-sharing CaHf6Be4 tetrahedra. All Ca–Be bond lengths are 2.83 Å. All Ca–Hf bond lengths are 3.27 Å. Be is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Hf atoms. All Be–Hf bond lengths are 2.83 Å. Hf is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaHfMg2 by Materials Project

BaMg2Hf crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Mg and four equivalent Hf atoms. There are four shorter (3.35 Å) and six longer (3.87 Å) Ba–Mg bond lengths. All Ba–Hf bond lengths are 3.35 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ba, four equivalent Mg, and four equivalent Hf atoms. All Mg–Mg bond lengths are 3.35 Å. All Mg–Hf bond lengths are 3.35 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on HfBe2Bi by Materials Project

Be2HfBi is alpha bismuth trifluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to four equivalent Hf atoms to form corner-sharing BeHf4 tetrahedra. All Be–Hf bond lengths are 2.90 Å. In the second Be site, Be is bonded to four equivalent Bi atoms to form corner-sharing BeBi4 tetrahedra. All Be–Bi bond lengths are 2.90 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Bi atoms. All Hf–Bi bond lengths are 2.90 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CaHfZn by Materials Project

CaHfZn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to four equivalent Hf and six equivalent Zn atoms. All Ca–Hf bond lengths are 2.95 Å. All Ca–Zn bond lengths are 3.41 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Zn atoms. All Hf–Zn bond lengths are 2.95 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfNiSn by Materials Project

HfNiSn 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 Ni and four equivalent Sn atoms. All Hf–Ni bond lengths are 2.78 Å. All Hf–Sn bond lengths are 2.78 Å. Ni is bonded to four equivalent Hf atoms to form NiHf4 tetrahedra that share corners with four equivalent SnHf4 tetrahedra, corners with twelve equivalent NiHf4 tetrahedra, and edges with six equivalent SnHf4 tetrahedra. Sn is bonded to four equivalent Hf atoms to form SnHf4 tetrahedra that share corners with four equivalent NiHf4 tetrahedra, corners with twelve equivalent SnHf4 tetrahedra, and edges with six equivalent NiHf4 tetrahedra.

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DOE OSTI2020

Materials Data on YHf2Pb by Materials Project

YHf2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Hf and six equivalent Pb atoms. All Y–Hf bond lengths are 3.21 Å. All Y–Pb bond lengths are 3.71 Å. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Y and four equivalent Pb atoms. All Hf–Pb bond lengths are 3.21 Å. Pb is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Hf atoms.

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DOE OSTI2020

Materials Data on HfInNi2 by Materials Project

HfNi2In 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 eight equivalent Ni and six equivalent In atoms. All Hf–Ni bond lengths are 2.68 Å. All Hf–In bond lengths are 3.10 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In 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 Hf2Ni2Sn by Materials Project

Hf2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.68 Å) and four longer (2.69 Å) Hf–Ni bond lengths. All Hf–Sn bond lengths are 3.13 Å. Ni is bonded in a 6-coordinate geometry to six equivalent Hf, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.50 Å. Both Ni–Sn bond lengths are 2.79 Å. Sn is bonded to eight equivalent Hf and four equivalent Ni atoms to form a mixture of face and corner-sharing SnHf8Ni4 cuboctahedra.

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Materials Data on Hf2Nb3Ge4 by Materials Project

Hf2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.77–2.98 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.59–2.76 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–Ge bond distances ranging from 2.65–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Hf, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Hf, six Nb, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2FeTc by Materials Project

Hf2TcFe 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 Fe atoms. All Hf–Tc bond lengths are 2.78 Å. All Hf–Fe bond lengths are 2.78 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Fe is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

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