Materials Data on Lu3Mg2(SiO4)3 by Materials Project

Abstract

Mg2Lu3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mg–O bond lengths are 2.08 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.34 Å) and four longer (2.44 Å) Lu–O bond lengths. Si is bonded to four equivalent O atoms to form SiO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Si–O bond lengths are 1.66 Å. O is bonded to one Mg, two equivalent Lu, and one Si atom to form a mixture of distorted corner and edge-sharing OLu2MgSi trigonal pyramids.