A new modification of ReO/sub 3/-type MoO/sub 3/ and the deuterated intercalation compound from which it is derived: D/sub 0.99/MoO/sub 3/

The structures of D/sub 0.99/MoO/sub 3/ and β'-MoO/sub 3/, both closely related to the ReO/sub 3/ structure, have been determined from neutron powder diffraction data and refined using the Rietveld technique. D/sub 0.99/MoO/sub 3/ was prepared by a spillover reaction, and β'-MoO/sub 3/, a new modification of MoO/sub 3/, by heating this intercalate in oxygen at 2000C, driving off D/sub 2/O. The D/sub 0.99/MoO/sub 3/ structure was refined as cubic (Im3-bar, a = 7.622(1)A) with deuterium statistically occupying two sites. There is evidence of ordering and reduction of the space group symmetry to at least Pm3-bar. The structure of β'-MoO/sub 3/ was refined as monoclinic (P2/sub 1//eta, a = 7.4245(1), b = 7.4783(1), c = 7.6897(1)A, β = 90.090(2)0). β'-MoO/sub 3/ is isostructural with the room temperature monoclinic modification of WO/sub 3/