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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Hf atoms. All Mg–Hf bond lengths are 3.05 Å. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3Mg by Materials Project

MgHf3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Hf atoms to form MgHf12 cuboctahedra that share corners with four equivalent MgHf12 cuboctahedra, corners with eight equivalent HfHf8Mg4 cuboctahedra, edges with eight equivalent MgHf12 cuboctahedra, edges with sixteen equivalent HfHf8Mg4 cuboctahedra, faces with four equivalent MgHf12 cuboctahedra, and faces with fourteen HfHf8Mg4 cuboctahedra. There are four shorter (3.12 Å) and eight longer (3.15 Å) Mg–Hf bond lengths. There are two inequivalent Hf sites. In the first Hf site, Hf is bonded to four equivalent Mg and eight equivalent Hf atoms to form HfHf8Mg4 cuboctahedra that share corners with four equivalent HfHf8Mg4 cuboctahedra, corners with eight equivalent MgHf12 cuboctahedra, edges with twenty-four HfHf8Mg4 cuboctahedra, faces with six equivalent MgHf12 cuboctahedra, and faces with twelve HfHf8Mg4 cuboctahedra. All Hf–Hf bond lengths are 3.15 Å. In the second Hf site, Hf is bonded to four equivalent Mg and eight Hf atoms to form HfHf8Mg4 cuboctahedra that share corners with twelve equivalent HfHf8Mg4 cuboctahedra, edges with eight equivalent MgHf12 cuboctahedra, edges with sixteen HfHf8Mg4 cuboctahedra, faces with four equivalent MgHf12 cuboctahedra, and faces with fourteen HfHf8Mg4 cuboctahedra. All Hf–Hf bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg by Materials Project

Mg(Hf) is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to four equivalent Hf atoms to form corner-sharing MgHf4 tetrahedra. All Mg–Hf bond lengths are 2.84 Å. Hf is bonded to four equivalent Mg atoms to form corner-sharing HfMg4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg by Materials Project

Mg(Hf) is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Hf atoms to form MgHf8Mg4 cuboctahedra that share corners with eight equivalent HfHf4Mg8 cuboctahedra, corners with ten equivalent MgHf8Mg4 cuboctahedra, edges with six equivalent MgHf8Mg4 cuboctahedra, edges with twelve equivalent HfHf4Mg8 cuboctahedra, faces with eight equivalent HfHf4Mg8 cuboctahedra, and faces with twelve equivalent MgHf8Mg4 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Hf bond distances ranging from 3.08–3.12 Å. Hf is bonded to eight equivalent Mg and four equivalent Hf atoms to form HfHf4Mg8 cuboctahedra that share corners with eight equivalent MgHf8Mg4 cuboctahedra, corners with ten equivalent HfHf4Mg8 cuboctahedra, edges with six equivalent HfHf4Mg8 cuboctahedra, edges with twelve equivalent MgHf8Mg4 cuboctahedra, faces with eight equivalent MgHf8Mg4 cuboctahedra, and faces with twelve equivalent HfHf4Mg8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Hf–Hf bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Mg by Materials Project

MgHf2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg is bonded to six equivalent Hf atoms to form a mixture of distorted edge and corner-sharing MgHf6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two shorter (2.65 Å) and four longer (2.83 Å) Mg–Hf bond lengths. Hf is bonded in a 4-coordinate geometry to three equivalent Mg and one Hf atom. The Hf–Hf bond length is 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg by Materials Project

Mg(Hf) is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Hf atoms to form a mixture of edge and corner-sharing MgHf6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Hf bond lengths are 2.86 Å. Hf is bonded to six equivalent Mg atoms to form a mixture of edge and corner-sharing HfMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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 HfMg by Materials Project

Mg(Hf) is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six Hf atoms to form MgHf6Mg6 cuboctahedra that share corners with twelve MgHf6Mg6 cuboctahedra, edges with twelve MgHf6Mg6 cuboctahedra, edges with twelve HfHf6Mg6 cuboctahedra, faces with six equivalent MgHf6Mg6 cuboctahedra, and faces with twelve HfHf6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Hf bond lengths are 3.26 Å. In the second Mg site, Mg is bonded to ten equivalent Mg and six Hf atoms to form MgHf6Mg10 cuboctahedra that share corners with ten HfHf6Mg6 cuboctahedra, corners with twelve MgHf6Mg6 cuboctahedra, edges with eight HfHf6Mg6 cuboctahedra, edges with sixteen MgHf6Mg6 cuboctahedra, faces with sixteen equivalent MgHf6Mg10 cuboctahedra, and faces with eighteen HfHf6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–6.09 Å. All Mg–Hf bond lengths are 3.26 Å. There are three inequivalent Hf sites. In the first Hf site, Hf is bonded to six equivalent Mg and six equivalent Hf atoms to form HfHf6Mg6 cuboctahedra that share corners with twelve HfHf6Mg6 cuboctahedra, edges with twelve equivalent MgHf6Mg6 cuboctahedra, edges with twelve HfHf6Mg6 cuboctahedra, faces with six equivalent HfHf6Mg6 cuboctahedra, and faces with twelve equivalent MgHf6Mg6 cuboctahedra. All Hf–Hf bond lengths are 3.05 Å. In the second Hf site, Hf is bonded to six Mg and six equivalent Hf atoms to form HfHf6Mg6 cuboctahedra that share corners with five equivalent MgHf6Mg10 cuboctahedra, corners with twelve HfHf6Mg6 cuboctahedra, edges with ten MgHf6Mg6 cuboctahedra, edges with twelve HfHf6Mg6 cuboctahedra, faces with six equivalent HfHf6Mg6 cuboctahedra, and faces with fifteen MgHf6Mg6 cuboctahedra. All Hf–Hf bond lengths are 3.05 Å. In the third Hf site, Hf is bonded to six Mg and six equivalent Hf atoms to form HfHf6Mg6 cuboctahedra that share corners with five equivalent MgHf6Mg10 cuboctahedra, corners with twelve HfHf6Mg6 cuboctahedra, edges with ten MgHf6Mg6 cuboctahedra, edges with twelve HfHf6Mg6 cuboctahedra, faces with six equivalent HfHf6Mg6 cuboctahedra, and faces with fifteen MgHf6Mg6 cuboctahedra. All Hf–Mg bond lengths are 3.26 Å. All Hf–Hf bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg by Materials Project

Mg(Hf) is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. All Mg–Hf bond lengths are 3.02 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg3 by Materials Project

Mg3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent 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 equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen equivalent MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å. All Mg–Hf bond lengths are 3.13 Å. Hf is bonded to twelve equivalent Mg atoms to form HfMg12 cuboctahedra that share corners with twelve equivalent HfMg12 cuboctahedra, edges with twenty-four equivalent MgHf4Mg8 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with twelve equivalent MgHf4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg by Materials Project

Mg(Hf) is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Hf atoms to form MgHf8Mg4 cuboctahedra that share corners with twelve equivalent MgHf8Mg4 cuboctahedra, edges with eight equivalent MgHf8Mg4 cuboctahedra, edges with sixteen equivalent HfHf4Mg8 cuboctahedra, faces with eight equivalent HfHf4Mg8 cuboctahedra, and faces with ten equivalent MgHf8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Hf bond lengths are 3.14 Å. Hf is bonded to eight equivalent Mg and four equivalent Hf atoms to form HfHf4Mg8 cuboctahedra that share corners with twelve equivalent HfHf4Mg8 cuboctahedra, edges with eight equivalent HfHf4Mg8 cuboctahedra, edges with sixteen equivalent MgHf8Mg4 cuboctahedra, faces with eight equivalent MgHf8Mg4 cuboctahedra, and faces with ten equivalent HfHf4Mg8 cuboctahedra. All Hf–Hf bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗