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At least 685 records · Page 38
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DOE OSTI2020

Materials Data on Hf2N2O by Materials Project

Hf2ON2 is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form HfN4O2 octahedra that share corners with four equivalent HfN4 tetrahedra and edges with six HfN4O2 octahedra. All Hf–N bond lengths are 2.21 Å. Both Hf–O bond lengths are 2.08 Å. In the second Hf4+ site, Hf4+ is bonded to four N3- and two equivalent O2- atoms to form HfN4O2 octahedra that share corners with four equivalent HfN4 tetrahedra and edges with six HfN4O2 octahedra. There are a spread of Hf–N bond distances ranging from 2.19–2.23 Å. Both Hf–O bond lengths are 2.10 Å. In the third Hf4+ site, Hf4+ is bonded to four N3- atoms to form corner-sharing HfN4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are two shorter (2.08 Å) and two longer (2.09 Å) Hf–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Hf4+ atoms to form a mixture of distorted corner and edge-sharing NHf4 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Hf4+ atoms. O2- is bonded in a distorted trigonal non-coplanar geometry to three Hf4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCo3B2 by Materials Project

HfCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Hf–Co bond lengths are 2.85 Å. All Hf–B bond lengths are 2.78 Å. Co is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent B atoms. All Co–B bond lengths are 2.07 Å. B is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiS by Materials Project

HfSiS 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 Si and five equivalent S atoms. All Hf–Si bond lengths are 2.79 Å. There are four shorter (2.65 Å) and one longer (2.84 Å) Hf–S bond lengths. Si is bonded to four equivalent Hf and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing SiHf4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.50 Å. S is bonded in a 5-coordinate geometry to five equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGeSe by Materials Project

HfGeSe 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 Se atoms. All Hf–Ge bond lengths are 2.85 Å. There are four shorter (2.81 Å) and one longer (2.96 Å) Hf–Se 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 2.63 Å. Se is bonded in a 5-coordinate geometry to five equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGeS by Materials Project

HfGeS 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 S atoms. All Hf–Ge bond lengths are 2.85 Å. There are four shorter (2.71 Å) and one longer (2.75 Å) Hf–S 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 2.57 Å. S is bonded to five equivalent Hf atoms to form a mixture of distorted edge and corner-sharing SHf5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHf2Re by Materials Project

LiHf2Re 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 Re atoms. All Li–Hf bond lengths are 2.84 Å. All Li–Re bond lengths are 3.28 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Re atoms. All Hf–Re bond lengths are 2.84 Å. Re 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 Hf2ReIr by Materials Project

Hf2ReIr 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 Ir atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Ir bond lengths are 2.83 Å. Re 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHf2Os by Materials Project

LiHf2Os 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 Os atoms. All Li–Hf bond lengths are 2.83 Å. All Li–Os bond lengths are 3.27 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Hf–Os bond lengths are 2.83 Å. Os 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 Hf2MoIr by Materials Project

Hf2MoIr 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 Mo and four equivalent Ir atoms. All Hf–Mo bond lengths are 2.84 Å. All Hf–Ir bond lengths are 2.84 Å. Mo 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfInCo2 by Materials Project

HfCo2In 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 In atoms. All Hf–Co bond lengths are 2.69 Å. All Hf–In bond lengths are 3.11 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Co–In bond lengths are 2.69 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2CoIr by Materials Project

Hf2IrCo 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 Ir and four equivalent Co atoms. All Hf–Ir bond lengths are 2.78 Å. All Hf–Co bond lengths are 2.78 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2CoRe by Materials Project

Hf2ReCo 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 Co atoms. All Hf–Re bond lengths are 2.79 Å. All Hf–Co bond lengths are 2.79 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2FeIr by Materials Project

Hf2FeIr 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 Fe and four equivalent Ir atoms. All Hf–Fe bond lengths are 2.80 Å. All Hf–Ir bond lengths are 2.80 Å. Fe 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2TcRh by Materials Project

Hf2TcRh 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 Rh atoms. All Hf–Tc bond lengths are 2.83 Å. All Hf–Rh bond lengths are 2.83 Å. Tc 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 Hf2ReOs by Materials Project

Hf2ReOs 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 Os atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Os bond lengths are 2.83 Å. Re 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 Hf2CuIr by Materials Project

Hf2IrCu 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 Ir and four equivalent Cu atoms. All Hf–Ir bond lengths are 2.83 Å. All Hf–Cu bond lengths are 2.83 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2CuOs by Materials Project

Hf2OsCu 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 Cu atoms. All Hf–Os bond lengths are 2.82 Å. All Hf–Cu bond lengths are 2.82 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2MoRh by Materials Project

Hf2MoRh 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 Mo and four equivalent Rh atoms. All Hf–Mo bond lengths are 2.84 Å. All Hf–Rh bond lengths are 2.84 Å. Mo 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↗