Materials Data on Pr4MgNi by Materials Project
Pr4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of face and corner-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Pr bond distances ranging from 3.44–3.65 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Pr, and two equivalent Ni atoms. All Pr–Pr bond lengths are 3.76 Å. Both Pr–Ni bond lengths are 2.93 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg, ten Pr, and two equivalent Ni atoms. There are two shorter (3.65 Å) and four longer (3.73 Å) Pr–Pr bond lengths. Both Pr–Ni bond lengths are 3.65 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Pr, and three equivalent Ni atoms. All Pr–Ni bond lengths are 2.90 Å. Ni is bonded in a 6-coordinate geometry to nine Pr atoms.