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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr(NiSb)2 by Materials Project

PrNi2Sb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Pr–Sb bond lengths are 3.43 Å. Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.50 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Ni+1.50+, and one Sb3- atom. The Sb–Sb bond length is 2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiSb by Materials Project

PrNiSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Ni and six equivalent Sb atoms to form a mixture of edge and face-sharing PrNi6Sb6 cuboctahedra. All Pr–Ni bond lengths are 3.28 Å. All Pr–Sb bond lengths are 3.28 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Sb atoms. All Ni–Sb bond lengths are 2.53 Å. Sb is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(NiSb)2 by Materials Project

PrNi2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.37 Å) and four longer (3.45 Å) Pr–Sb bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.57 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.53 Å) and four longer (2.56 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Ni+1.50+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and five Ni+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiSb by Materials Project

PrNiSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr is bonded to six equivalent Ni and six equivalent Sb atoms to form a mixture of edge and face-sharing PrNi6Sb6 cuboctahedra. All Pr–Ni bond lengths are 3.29 Å. All Pr–Sb bond lengths are 3.29 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Sb atoms. All Ni–Sb bond lengths are 2.54 Å. Sb is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗