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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy3(AlNi3)2 by Materials Project

Dy3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.78 Å) and four longer (3.01 Å) Dy–Ni bond lengths. All Dy–Al bond lengths are 3.17 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Dy, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–Al bond lengths are 2.47 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Dy and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(AlNi3)2 by Materials Project

Er3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.76 Å) and four longer (2.99 Å) Er–Ni bond lengths. All Er–Al bond lengths are 3.15 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Er and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve equivalent NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen equivalent NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen equivalent NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. All Ni–Al bond lengths are 2.52 Å. Al is bonded to twelve equivalent Ni atoms to form AlNi12 cuboctahedra that share corners with twelve equivalent AlNi12 cuboctahedra, edges with twenty-four equivalent NiAl4Ni8 cuboctahedra, faces with six equivalent AlNi12 cuboctahedra, and faces with twelve equivalent NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(AlNi3)2 by Materials Project

Ho3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.77 Å) and four longer (3.00 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ho, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Ho and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3(AlNi3)2 by Materials Project

Al2Ni6Y3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.80 Å) and four longer (3.01 Å) Y–Ni bond lengths. All Y–Al bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Y, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Al bond lengths are 2.47 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Y and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(AlNi3)2 by Materials Project

Sm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.83 Å) and four longer (3.03 Å) Sm–Ni bond lengths. All Sm–Al bond lengths are 3.21 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.60 Å. Both Ni–Al bond lengths are 2.49 Å. Al is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing AlSm6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3(AlNi3)2 by Materials Project

Gd3Ni6Al2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.81 Å) and four longer (3.01 Å) Gd–Ni bond lengths. All Gd–Al bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Gd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.59 Å. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Gd and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All Ni–Ni bond lengths are 2.45 Å. All Ni–Al bond lengths are 2.45 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.83 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with six equivalent AlNi12 cuboctahedra, corners with twelve NiAl4Ni8 cuboctahedra, edges with eighteen NiAl4Ni8 cuboctahedra, faces with eight equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3(AlNi3)2 by Materials Project

Tb3Ni6Al2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.80 Å) and four longer (3.00 Å) Tb–Ni bond lengths. All Tb–Al bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tb, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Al bond lengths are 2.47 Å. Al is bonded to six equivalent Tb and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing AlTb6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(AlNi3)2 by Materials Project

Tm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.77 Å) and four longer (2.98 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Tm and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗