Materials Data on Pm5Mg by Materials Project

Abstract

MgPm5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Pm atoms. There are a spread of Mg–Pm bond distances ranging from 3.47–3.61 Å. There are five inequivalent Pm sites. In the first Pm site, Pm is bonded to twelve Pm atoms to form PmPm12 cuboctahedra that share corners with eighteen PmPm12 cuboctahedra, edges with ten PmPm10Mg2 cuboctahedra, and faces with eighteen PmPm12 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.56–3.73 Å. In the second Pm site, Pm is bonded to four equivalent Mg and eight Pm atoms to form a mixture of distorted corner, edge, and face-sharing PmPm8Mg4 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.47–3.71 Å. In the third Pm site, Pm is bonded to two equivalent Mg and ten Pm atoms to form a mixture of corner, edge, and face-sharing PmPm10Mg2 cuboctahedra. There are four shorter (3.54 Å) and two longer (3.71 Å) Pm–Pm bond lengths. In the fourth Pm site, Pm is bonded to two equivalent Mg and ten Pm atoms to form distorted PmPm10Mg2 cuboctahedra that share corners with twelve PmPm10Mg2 cuboctahedra, edges with fifteen PmPm12 cuboctahedra, and faces with eighteen PmPm12 cuboctahedra. All Pm–Pm bond lengths are 3.71 Å. In the fifth Pm site, Pm is bonded to two equivalent Mg and ten Pm atoms to form distorted PmPm10Mg2 cuboctahedra that share corners with twelve PmPm10Mg2 cuboctahedra, edges with fifteen PmPm8Mg4 cuboctahedra, and faces with eighteen PmPm12 cuboctahedra. Both Pm–Pm bond lengths are 3.71 Å.