The crystal structure of a lithium-nickel molybdate, Li2Ni2Mo3O12, and the systematics of the structure type

<h2>Acta Crystallographica Section B</h2><h3>Structural Crystallography and Crystal Chemistry</h3><h3>0567-7408</h3> <h2>research papers</h2> Volume 33 Part 7 Pages 2175-2181 July 1977 <h2>The crystal structure of a lithium-nickel molybdate, Li 2 Ni 2 Mo 3 O 12 , and the systematics of the structure type</h2> M. Ozima, S. Sato and T. Zoltai Acta Crvst. (1977). B33, 2175-2181 The Crystal Structure of a Lithium-Nickel Molybdate, Li2Ni2M03012, and the Systematics of the Structure Type By M. OZIMA AND S. SATO Institute for Solid State Physics, University of Tokyo, Roppongi-7, Minato-ku, Tokyo 106, Japan AND T. ZOLTAI Department of Geology and Geophysics, University of Minnesota, Minneapolis, Minnesota 55455, USA 2175 (Received 2 December 1976; accepted 24 December 1976) Li2Ni2Mo3Ol2 is orthorhombic, a = 10.423 (3), b -- 17.525 (4), c = 5-074 (1) A, space group Pmcn with Z = 4. 2717 independent reflexions were collected and the structure was refined to an R value of 0.053. The average Mo-O and (Ni,Li)-O distances are 1.774 and 2.097 A, respectively. The close-packed sheets of O are composed of three-square-wide bands of Wells's No. 9 regular net, held together by semi-regular single chains of triangles. There are two identical sheets in the stacking sequence, and the regular and semi-regular voids between the O atoms are filled by the cations: Ni and Li occupy, in various proportions, the trigonal prism (M1), the distorted (M2) and the regular (M3) trigonal antiprisms, and Mo occupies the elongated tetrahedral voids. Experimental Single crystals of Li2Ni2Mo3Oi2 were produced accidentally during an attempt to grow...