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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on Pr3Cr by Materials Project

Pr3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Pr and four equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing PrPr4Cr4 tetrahedra. All Pr–Pr bond lengths are 3.40 Å. All Pr–Cr bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight equivalent Pr and six equivalent Cr atoms. All Pr–Cr bond lengths are 3.93 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Cr by Materials Project

Pr3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Cr atoms to form distorted PrPr8Cr4 cuboctahedra that share corners with twelve equivalent PrPr8Cr4 cuboctahedra, edges with eight equivalent PrPr8Cr4 cuboctahedra, edges with eight equivalent CrPr12 cuboctahedra, faces with four equivalent CrPr12 cuboctahedra, and faces with ten equivalent PrPr8Cr4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.57 Å) Pr–Pr bond lengths. All Pr–Cr bond lengths are 3.57 Å. In the second Pr site, Pr is bonded in a distorted square co-planar geometry to eight equivalent Pr and four equivalent Cr atoms. All Pr–Cr bond lengths are 3.44 Å. Cr is bonded to twelve Pr atoms to form CrPr12 cuboctahedra that share corners with four equivalent CrPr12 cuboctahedra, edges with eight equivalent CrPr12 cuboctahedra, edges with sixteen equivalent PrPr8Cr4 cuboctahedra, faces with four equivalent CrPr12 cuboctahedra, and faces with eight equivalent PrPr8Cr4 cuboctahedra.

36 MATERIALS SCIENCE↗