DOI: 10.17188/1744587
title: Materials Data on Li2Re2O11 by Materials Project

description: Li2Re2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.45 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.93–2.49 Å. In the third Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.96–2.52 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.57 Å. There are four inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.80 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the fourth Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Li and one Re atom. In the second O site, O is bonded in a single-bond geometry to one Re atom. In the third O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the fourth O site, O is bonded in a single-bond geometry to one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Li and one Re atom. In the sixth O site, O is bonded in a single-bond geometry to one Re atom. In the seventh O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Li and one Re atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Li and one Re atom. In the eleventh O site, O is bonded in a single-bond geometry to one Re atom. In the twelfth O site, O is bonded in a single-bond geometry to one Re atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Li and one Re atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Re atom. In the fifteenth O site, O is bonded in a distorted T-shaped geometry to two Li and one Re atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Re atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to two Li atoms. In the eighteenth O site, O is bonded in a 2-coordinate geometry to two Li atoms. In the nineteenth O site, O is bonded in a distorted T-shaped geometry to two Li and one O atom. The O–O bond length is 1.24 Å. In the twentieth O site, O is bonded in a distorted T-shaped geometry to two Li and one O atom. The O–O bond length is 1.24 Å. In the twenty-first O site, O is bonded in a 3-coordinate geometry to two Li and one O atom. In the twenty-second O site, O is bonded in a 3-coordinate geometry to two Li and one O atom.