Materials Data on Nd3Cd2Si3O13 by Materials Project

Abstract

Nd3Cd2Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.68 Å. Cd is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.40 Å) and three longer (2.51 Å) Cd–O bond lengths. Si is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Nd, two equivalent Cd, and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms. In the third O site, O is bonded in a 4-coordinate geometry to one Nd, two equivalent Cd, and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two equivalent Nd and one Si atom.