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Materials Data on Pr(CuGe)2 by Materials Project

PrCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Pr–Cu bond lengths are 3.32 Å. All Pr–Ge bond lengths are 3.21 Å. Cu is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗

Materials Data on PrCuGe2 by Materials Project

PrCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.34 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.50 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Cu atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗

Materials Data on PrCuGe by Materials Project

PrCuGe 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 Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing PrCu6Ge6 cuboctahedra. All Pr–Cu bond lengths are 3.21 Å. All Pr–Ge bond lengths are 3.21 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.45 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗