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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrNiBi by Materials Project

PrNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Pr–Ni bond lengths are 2.88 Å. All Pr–Bi bond lengths are 3.33 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.88 Å. Bi is bonded in a distorted q6 geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(NiBi)2 by Materials Project

Pr(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Ni and eight Bi atoms. There are four shorter (3.33 Å) and four longer (3.61 Å) Pr–Ni bond lengths. There are four shorter (3.47 Å) and four longer (3.63 Å) Pr–Bi bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Bi atoms. There are one shorter (2.58 Å) and four longer (2.67 Å) Ni–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ni3Bi4 by Materials Project

Pr3Ni3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Bi atoms. All Pr–Ni bond lengths are 3.03 Å. There are four shorter (3.38 Å) and four longer (3.49 Å) Pr–Bi bond lengths. Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗