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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrAl2Ni3 by Materials Project

PrNi3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to twelve equivalent Ni and six equivalent Al atoms. All Pr–Ni bond lengths are 3.28 Å. All Pr–Al bond lengths are 3.07 Å. Ni is bonded to four equivalent Pr and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NiPr4Al4 cuboctahedra. All Ni–Al bond lengths are 2.45 Å. Al is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl5Ni2 by Materials Project

PrNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All Pr–Ni bond lengths are 3.22 Å. There are a spread of Pr–Al bond distances ranging from 3.33–3.55 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Pr and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl3Ni2 by Materials Project

PrNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Ni and twelve equivalent Al atoms. All Pr–Ni bond lengths are 3.10 Å. All Pr–Al bond lengths are 3.35 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Ni–Al bond lengths are 2.54 Å. Al is bonded to four equivalent Pr and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl4Ni by Materials Project

PrNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Pr–Ni bond lengths are 3.32 Å. There are a spread of Pr–Al bond distances ranging from 3.04–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.51 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Pr and six Al atoms. There are four shorter (2.92 Å) and two longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Pr, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr, three equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlNi by Materials Project

PrNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.94 Å) and one longer (2.97 Å) Pr–Ni bond lengths. There are two shorter (3.23 Å) and four longer (3.28 Å) Pr–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Ni–Al bond lengths are 2.59 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Ni–Al bond lengths are 2.82 Å. Al is bonded to six equivalent Pr, four Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr6Al2Ni4 cuboctahedra. Both Al–Al bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlNi4 by Materials Project

PrNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Pr–Ni bond distances ranging from 2.83–3.20 Å. All Pr–Al bond lengths are 3.26 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. Both Ni–Al bond lengths are 2.46 Å. In the second Ni site, Ni is bonded to four equivalent Pr, six Ni, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NiPr4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a 12-coordinate geometry to four equivalent Pr and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2AlNi2 by Materials Project

Pr2Ni2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.93 Å) and four longer (2.99 Å) Pr–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Al atoms. The Ni–Ni bond length is 2.50 Å. Both Ni–Al bond lengths are 2.55 Å. Al is bonded to four equivalent Ni atoms to form distorted edge-sharing AlNi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl2Ni by Materials Project

PrNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.99 Å) and two longer (3.21 Å) Pr–Ni bond lengths. There are a spread of Pr–Al bond distances ranging from 3.18–3.45 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. There are two shorter (2.47 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗