Materials Data on Y3Mg2Si3O13 by Materials Project

Abstract

Mg2Y3Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.18 Å) and three longer (2.42 Å) Mg–O bond lengths. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.22–2.88 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Mg, one Y, and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Y atoms. In the third O site, O is bonded to two equivalent Mg, one Y, and one Si atom to form distorted edge-sharing OYMg2Si tetrahedra. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one Si atom.