title: The True Structure and Metal-Metal-Bonded Framework of LiMo(III)O(2) Determined from Total Neutron Scattering.
abstract: Total neutron diffraction studies show that the layered lithium molybdate, LiMo(III)O(2), contains zigzag molybdenum chains within the MoO(2) layers. The short distances along the zigzag, d(Mo)(-)(Mo) = 2.618 Å, are indicative of strong metal-metal bonds. The structure adopted is in agreement with theoretical predictions for a d(3) metal system and differs from that previously published. The average structure is best described in the space group = C2/m, with a = 10.543(6) Å, b = 2.8626(5) Å, c = 10.899(6) Å, and beta = 153.29(1) degrees. The utility of determining radial correlation functions from diffraction data as a check on the final structure obtained from Bragg scattering studies of polycrystalline materials is demonstrated.
authors.affiliation: Department of Chemistry, University of Reading, Whiteknights, P.O. Box 224, Reading, RG6 6AD, U.K., and ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX, U.K.
authors.forename: Simon J.
authors.initials: SJ
authors.lastname: Hibble
authors.forename: Ian D.
authors.initials: ID
authors.lastname: Fawcett
authors.forename: Alex C.
authors.initials: AC
authors.lastname: Hannon