Materials Data on LiCdMoO5 by Materials Project

Abstract

LiMoCdO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.80–1.94 Å. Mo is bonded to five O atoms to form a mixture of edge and corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.78–2.02 Å. Cd is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.15–2.40 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li, one Mo, and one Cd atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Mo atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to one Li and two equivalent Cd atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to one Li and two equivalent Cd atoms.