Materials Data on PmNd3 by Materials Project

Abstract

PmNd3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Nd atoms to form PmNd12 cuboctahedra that share corners with four equivalent PmNd12 cuboctahedra, corners with eight equivalent NdPm4Nd8 cuboctahedra, edges with eight equivalent PmNd12 cuboctahedra, edges with sixteen equivalent NdPm4Nd8 cuboctahedra, faces with four equivalent PmNd12 cuboctahedra, and faces with fourteen NdPm4Nd8 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.69 Å) Pm–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Pm and eight Nd atoms to form NdPm4Nd8 cuboctahedra that share corners with twelve equivalent NdPm4Nd8 cuboctahedra, edges with eight equivalent PmNd12 cuboctahedra, edges with sixteen NdPm4Nd8 cuboctahedra, faces with four equivalent PmNd12 cuboctahedra, and faces with fourteen NdPm4Nd8 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.69 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to four equivalent Pm and eight equivalent Nd atoms to form NdPm4Nd8 cuboctahedra that share corners with four equivalent NdPm4Nd8 cuboctahedra, corners with eight equivalent PmNd12 cuboctahedra, edges with twenty-four NdPm4Nd8 cuboctahedra, faces with six equivalent PmNd12 cuboctahedra, and faces with twelve NdPm4Nd8 cuboctahedra.