Materials Data on AcPm3 by Materials Project

Abstract

AcPm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve Pm atoms to form AcPm12 cuboctahedra that share corners with six equivalent AcPm12 cuboctahedra, corners with twelve PmAc4Pm8 cuboctahedra, edges with eighteen PmAc4Pm8 cuboctahedra, faces with eight equivalent AcPm12 cuboctahedra, and faces with twelve PmAc4Pm8 cuboctahedra. There are six shorter (3.75 Å) and six longer (3.78 Å) Ac–Pm bond lengths. There are three inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Ac and eight Pm atoms to form PmAc4Pm8 cuboctahedra that share corners with four equivalent AcPm12 cuboctahedra, corners with fourteen PmAc4Pm8 cuboctahedra, edges with six equivalent AcPm12 cuboctahedra, edges with twelve PmAc4Pm8 cuboctahedra, faces with four equivalent AcPm12 cuboctahedra, and faces with sixteen PmAc4Pm8 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.67–3.84 Å. In the second Pm site, Pm is bonded to four equivalent Ac and eight Pm atoms to form PmAc4Pm8 cuboctahedra that share corners with four equivalent AcPm12 cuboctahedra, corners with fourteen PmAc4Pm8 cuboctahedra, edges with six equivalent AcPm12 cuboctahedra, edges with twelve PmAc4Pm8 cuboctahedra, faces with four equivalent AcPm12 cuboctahedra, and faces with sixteen PmAc4Pm8 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.67–3.84 Å. In the third Pm site, Pm is bonded to four equivalent Ac and eight Pm atoms to form PmAc4Pm8 cuboctahedra that share corners with four equivalent AcPm12 cuboctahedra, corners with fourteen PmAc4Pm8 cuboctahedra, edges with six equivalent AcPm12 cuboctahedra, edges with twelve PmAc4Pm8 cuboctahedra, faces with four equivalent AcPm12 cuboctahedra, and faces with sixteen PmAc4Pm8 cuboctahedra. There are one shorter (3.67 Å) and one longer (3.84 Å) Pm–Pm bond lengths.