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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3Pr by Materials Project

Li3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pr atoms. All Li–Li bond lengths are 3.19 Å. All Li–Pr bond lengths are 3.19 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pr atoms. All Li–Pr bond lengths are 3.68 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr3 by Materials Project

LiPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Pr atoms to form LiPr12 cuboctahedra that share corners with twelve equivalent LiPr12 cuboctahedra, edges with twenty-four equivalent PrLi4Pr8 cuboctahedra, faces with six equivalent LiPr12 cuboctahedra, and faces with twelve equivalent PrLi4Pr8 cuboctahedra. All Li–Pr bond lengths are 3.58 Å. Pr is bonded to four equivalent Li and eight equivalent Pr atoms to form PrLi4Pr8 cuboctahedra that share corners with twelve equivalent PrLi4Pr8 cuboctahedra, edges with eight equivalent LiPr12 cuboctahedra, edges with sixteen equivalent PrLi4Pr8 cuboctahedra, faces with four equivalent LiPr12 cuboctahedra, and faces with fourteen equivalent PrLi4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.58 Å.

36 MATERIALS SCIENCE↗