Cs4YbC17site occupancies was attempted. However, this influenced neither the displacement parameters nor the R values. In an attempt to resolve the sixfold disorder, the structure was recalculated based on a triplet of a monoclinic unit cell (a = 9.814, b = 7.634, c = 12.445A, /3 = 108.14 ° , Z = 2) in space group 12/m (t subgroup of R3m). The transformation matrix is i i 1 i ~ l -g,g,Jl,l,0/-?,,~, ~ and the matrix of threefold rotation (twinning element) is 0,1,0/-1,-1,0/0,0,1. However, the refinement did not stabilize and one C1 ion of the YbC16 octahedron showed strongly anisotropic displacement parameters. A further attempt involved refinement as an inversion twin in the space group lm. Anisotropic refinement gave R1 = 0.036 for 1274 reflections with I < 2o'(/) and wR2(all data) = 0.092. The ratio of the triplets was 34(21 + 13):32(30 + 2):34(5 + 29), with the ratios of inversion twins in parentheses. However, the displacement parameters became even more anisotropic and the YbC16 octahedron showed an elongation that we could not rationalize. Furthermore, the R values are no better than in the rhombohedral model. We therefore believe that disorder rather than twinning gives a correct model of the structure.Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994 (Fair, 1990). Program(s) used to solve structure: SHELXS86 (Sheldrick, 1990). Program(s) used to refine structure: SHELXL93 (Sheldrick, 1993). Molecular graphics: ZORTEP (Zsolnai, 1994), SCHAKAL92 (Keller, 1993). Software used to prepare material for publication: SHELXL93.We thank Professor H.-J. Seifert for support and dedicate this paper to him on the occasion of his last 'first fine day'.Lists of structure factors, anisotropic displacement parameters and complete geometry have been deposited with the IUCr (Reference: JZI121). Copies may be obtained through The Managing Editor, International Union of Crystallography, 5 Abbey Square, Chester CH 1 2HU, England.
ReferencesBenachenhou, B., Mairesse, G. & Nowogrocki, G. (1986 (Received 29 November 1995: accepted 26 Februar 3' 1996
AbstractThe crystal structure of the strontium gallium molybdate Sr4Ga3M026048 is characterized by quasi-isolated monocapped octahedral M07 clusters and infinite Mo chains arranged in layers parallel to the ac