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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2CdNi2 by Materials Project

Pr2Ni2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are two shorter (2.93 Å) and four longer (2.98 Å) Pr–Ni bond lengths. All Pr–Cd bond lengths are 3.39 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Cd atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of face and corner-sharing CdPr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdNi4 by Materials Project

PrNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Pr–Ni bond lengths are 2.97 Å. All Pr–Cd bond lengths are 3.10 Å. Ni is bonded to three equivalent Pr, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiPr3Cd3Ni6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.56 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.97 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Pr and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Cd10Ni)2 by Materials Project

Pr(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.42 Å) and twelve longer (3.48 Å) Pr–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdPrCd10Ni cuboctahedra, and faces with six equivalent CdPrCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.07 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Pr, one Ni, and ten Cd atoms to form distorted CdPrCd10Ni cuboctahedra that share corners with fifteen equivalent CdPrCd10Ni cuboctahedra, edges with two equivalent CdPrCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdPrCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.92–3.37 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Pr and twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗