Materials Data on Y5Mg by Materials Project

Abstract

MgY5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Y atoms. There are a spread of Mg–Y bond distances ranging from 3.41–3.60 Å. There are five inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mg and ten Y atoms to form YY10Mg2 cuboctahedra that share corners with eighteen YY10Mg2 cuboctahedra, edges with twelve YY9Mg3 cuboctahedra, and faces with seventeen YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.49–3.63 Å. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form a mixture of face, edge, and corner-sharing YY9Mg3 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.42–3.59 Å. In the third Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.47–3.62 Å. In the fourth Y site, Y is bonded to one Mg and eleven Y atoms to form a mixture of face, edge, and corner-sharing YY11Mg cuboctahedra. There are two shorter (3.47 Å) and two longer (3.59 Å) Y–Y bond lengths. In the fifth Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. Both Y–Y bond lengths are 3.59 Å.