Materials Data on Y3Mg by Materials Project

MgY3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Y atoms. There are a spread of Mg–Y bond distances ranging from 3.39–3.56 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Mg and eight Y atoms to form a mixture of distorted edge, face, and corner-sharing YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.46–3.62 Å. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form YY9Mg3 cuboctahedra that share corners with eighteen equivalent YY9Mg3 cuboctahedra, edges with twelve YY8Mg4 cuboctahedra, and faces with fourteen YY8Mg4 cuboctahedra. There are four shorter (3.48 Å) and two longer (3.62 Å) Y–Y bond lengths.