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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrNiSn by Materials Project

PrNiSn is Titanium Disilicide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Pr–Ni bond distances ranging from 3.03–3.62 Å. There are a spread of Pr–Sn bond distances ranging from 3.23–3.39 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.66–2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiSn by Materials Project

PrNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (3.04 Å) and one longer (3.07 Å) Pr–Ni bond lengths. There are two shorter (3.25 Å) and four longer (3.37 Å) Pr–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.76 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(NiSn)2 by Materials Project

Pr(NiSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Pr–Ni bond lengths are 3.45 Å. All Pr–Sn bond lengths are 3.45 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.52 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ni2Sn by Materials Project

Pr2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (3.03 Å) and four longer (3.07 Å) Pr–Ni bond lengths. All Pr–Sn bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–Sn bond lengths are 2.75 Å. Sn is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of edge and face-sharing SnPr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗