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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on HfTaV4 by Materials Project

HfTaV4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent V atoms. All Hf–Ta bond lengths are 3.12 Å. All Hf–V bond lengths are 2.99 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Ta–V bond lengths are 2.99 Å. V is bonded to three equivalent Hf, three equivalent Ta, and six equivalent V atoms to form a mixture of edge, face, and corner-sharing VHf3Ta3V6 cuboctahedra. All V–V bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Hf by Materials Project

Pr3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Hf atoms to form PrPr8Hf4 cuboctahedra that share corners with twelve equivalent PrPr8Hf4 cuboctahedra, edges with eight equivalent HfPr12 cuboctahedra, edges with sixteen PrPr8Hf4 cuboctahedra, faces with four equivalent HfPr12 cuboctahedra, and faces with fourteen PrPr8Hf4 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.57 Å) Pr–Pr bond lengths. All Pr–Hf bond lengths are 3.55 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Hf atoms to form PrPr8Hf4 cuboctahedra that share corners with four equivalent PrPr8Hf4 cuboctahedra, corners with eight equivalent HfPr12 cuboctahedra, edges with twenty-four PrPr8Hf4 cuboctahedra, faces with six equivalent HfPr12 cuboctahedra, and faces with twelve PrPr8Hf4 cuboctahedra. All Pr–Hf bond lengths are 3.57 Å. Hf is bonded to twelve Pr atoms to form HfPr12 cuboctahedra that share corners with four equivalent HfPr12 cuboctahedra, corners with eight equivalent PrPr8Hf4 cuboctahedra, edges with eight equivalent HfPr12 cuboctahedra, edges with sixteen equivalent PrPr8Hf4 cuboctahedra, faces with four equivalent HfPr12 cuboctahedra, and faces with fourteen PrPr8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2NbIr by Materials Project

Hf2NbIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2NbIr ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Nb and one Ir atom. The Hf–Nb bond length is 2.40 Å. The Hf–Ir bond length is 2.38 Å. Nb is bonded in a linear geometry to two equivalent Hf atoms. Ir is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2ZnIr by Materials Project

Hf2IrZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2IrZn ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Ir and one Zn atom. The Hf–Ir bond length is 2.32 Å. The Hf–Zn bond length is 2.91 Å. Ir is bonded in a linear geometry to two equivalent Hf atoms. Zn is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent MgHf4Mg8 cuboctahedra, corners with eight equivalent HfMg12 cuboctahedra, edges with twenty-four MgHf4Mg8 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with twelve MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. All Mg–Hf bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Hf bond lengths are 3.16 Å. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with eight equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2TiIr by Materials Project

Hf2TiIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2TiIr ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Ti and one Ir atom. The Hf–Ti bond length is 2.45 Å. The Hf–Ir bond length is 2.35 Å. Ti is bonded in a linear geometry to two equivalent Hf atoms. Ir is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2InNi2 by Materials Project

Hf2Ni2In 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 In atoms. All Hf–Ni bond lengths are 2.69 Å. All Hf–In bond lengths are 3.15 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Hf, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–In bond lengths are 2.83 Å. In is bonded to eight equivalent Hf and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing InHf8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2MnCo by Materials Project

Hf2MnCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MnCo ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mn and one Co atom. The Hf–Mn bond length is 2.38 Å. The Hf–Co bond length is 2.22 Å. Mn is bonded in a linear geometry to two equivalent Hf atoms. Co is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2CoRh by Materials Project

Hf2RhCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2RhCo ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Rh and one Co atom. The Hf–Rh bond length is 2.35 Å. The Hf–Co bond length is 2.21 Å. Rh is bonded in a linear geometry to two equivalent Hf atoms. Co is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfFeSi by Materials Project

HfFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent Si atoms. There are a spread of Hf–Fe bond distances ranging from 2.72–2.80 Å. There are a spread of Hf–Si bond distances ranging from 2.76–2.84 Å. Fe is bonded in a 10-coordinate geometry to four equivalent Hf and four equivalent Si atoms. There are a spread of Fe–Si bond distances ranging from 2.33–2.45 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3Ni3Sb4 by Materials Project

Hf3Ni3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Sb atoms. All Hf–Ni bond lengths are 2.78 Å. All Hf–Sb bond lengths are 3.14 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.54 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Hf by Materials Project

Ce3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.32 Å. All Ce–Hf bond lengths are 3.32 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with four equivalent CeCe8Hf4 cuboctahedra, corners with eight equivalent HfCe12 cuboctahedra, edges with twenty-four CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve CeCe8Hf4 cuboctahedra. All Ce–Hf bond lengths are 3.32 Å. Hf is bonded to twelve Ce atoms to form HfCe12 cuboctahedra that share corners with four equivalent HfCe12 cuboctahedra, corners with eight equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2H2Pd by Materials Project

Hf2PdH2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent H atoms. All Hf–Pd bond lengths are 2.86 Å. All Hf–H bond lengths are 2.08 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. H is bonded to four equivalent Hf atoms to form a mixture of edge and corner-sharing HHf4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCoGe by Materials Project

HfCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Ge atoms. There are a spread of Hf–Co bond distances ranging from 2.76–3.13 Å. There are a spread of Hf–Ge bond distances ranging from 2.77–2.80 Å. Co is bonded in a 12-coordinate geometry to six equivalent Hf and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.49 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2BeZn by Materials Project

BeHf2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeHf2Zn ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Hf atoms. Both Be–Hf bond lengths are 2.52 Å. Hf is bonded in a linear geometry to one Be and one Zn atom. The Hf–Zn bond length is 2.80 Å. Zn is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2FeRh by Materials Project

Hf2FeRh 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 Rh atoms. All Hf–Fe bond lengths are 2.79 Å. All Hf–Rh bond lengths are 2.79 Å. Fe is bonded in a distorted 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 HfAlW4 by Materials Project

HfW4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent W and four equivalent Al atoms. All Hf–W bond lengths are 3.13 Å. All Hf–Al bond lengths are 3.26 Å. W is bonded to three equivalent Hf, six equivalent W, and three equivalent Al atoms to form a mixture of corner, edge, and face-sharing WHf3Al3W6 cuboctahedra. There are three shorter (2.66 Å) and three longer (2.68 Å) W–W bond lengths. All W–Al bond lengths are 3.12 Å. Al is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent W atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2ReHg by Materials Project

Hf2ReHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2ReHg ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Hg atom. The Hf–Re bond length is 2.27 Å. The Hf–Hg bond length is 3.03 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Hg is bonded in a linear geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗