Materials Data on SrV3O11 by Materials Project

Abstract

SrV3O11 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one SrV3O11 sheet oriented in the (0, 0, 1) direction. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.94 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.62–2.15 Å. In the second V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.59–1.97 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Sr and three V atoms. In the second O site, O is bonded in a 3-coordinate geometry to one Sr and three V atoms. In the third O site, O is bonded in a single-bond geometry to one V atom. In the fourth O site, O is bonded in a single-bond geometry to one V atom. In the fifth O site, O is bonded in a single-bond geometry to one Sr atom. In the sixth O site, O is bonded in a single-bond geometry to one Sr atom. In the seventh O site, O is bonded in a T-shaped geometry to two equivalent Sr and one V atom.