Synthesis and Characterization of New Double Tungstates Li 2 M II (WO 4 ) 2 (M ) Co, Ni, and Cu) M. A Ä lvarez-Vega, J. Rodrı ´guez-Carvajal, J. G. Reyes-Ca ´ rdenas, § A. F. Fuentes, | and U. Amador* ,† Departamento de Quı ´mica Inorga ´ nica y Materiales, Facultad de Ciencias Experimentales y Te ´ cnicas, Universidad San Pablo-CEU, Urbanizacio ´ n Monteprı ´ncipe, 28668-Boadilla del Monte, Madrid, Spain, Lab. Le ´ on Brillouin, CEA-CNRS, Centre d'Etudes de Saclay, 91191-Gif sur Yvette Cedex, France, Facultad de Ciencias Quı ´micas, U.A.N.L., San Nicola ´ s de los Garza, Nuevo Leo ´ n, Me ´ xico, and CINVESTAV-IPN Unidad Saltillo, Carr. Saltillo-Monterrey Km. 13, Apdo. Postal N. 663, 25000-Saltillo, Coahuila, Me ´ xico Received February 13, 2001. Revised Manuscript Received June 25, 2001 Two new double tungstates, Li 2 Co(WO 4 ) 2 and Li 2 Ni(WO 4 ) 2 , have been prepared by solid- state reaction and characterized. The structures of these isostructural compounds (triclinic, space group P1 h ) have been determined from X-ray and neutron diffraction data and found to be built up of alternating layers of zigzag rows of edge-sharing WO 6 octahedra and MO 6 octahedra (M ) Co 2+ or Ni 2+ ) as in wolframite-like phases. However, the MO 6 octahedra are arranged in columns but not connected to each other; perpendicular to these columns there are rows of edge-sharing LiO 6 octahedra which also connect the different MO 6 octahedra. The structure of a previously reported lithium-copper(II) double tungstate with the same stoichiometry, Li 2 Cu(WO 4 ) 2 , has also been determined and found to be similar to that proposed for these new double tungstates. The three compounds melt incongruently at temperatures between 750 and 770 °C. Conductivity measurements revealed that these compounds are not good ionic conductors probably because of the full occupancy of lithium positions which hinders the motion of the ions along the (LiO 6 ) columns. Introduction A large number of double tungstates and molybdates have been studied in recent years, basically because of their interesting luminescence properties and possible application in the field of solid-state lasers. 1-3 Many of these double tungstates have the general formula A I M III - (WO 4 ) 2 , where A is an alkali metal and M is a trivalent cation such as Bi 3+ , In 3+ , or Cr 3+ or a rare earth element such as Sm 3+ , Eu 3+ , Gd 3+ , and so forth. As in the MWO 4 family of compounds, two different coordinations have also been found for tungsten in these phases, either tetrahedral for the scheelite-like double tungstates as in NaLa(WO 4 ) 2 4 or octahedral for those adopting the wolframite type of structure as in LiFe(WO 4 ) 2 . 5 How- ever, only a few double tungstates of divalent elements have been structurally investigated and not much has been said about their chemical and/or physical proper- ties. In fact, to our knowledge, only four elements (cop- per, iron, magnesium, and zinc) have been found to form this type of compound. Thus, Russian authors described lithium double tungstates of Cu(II) and Fe(II), with the general formula Li 2 M II (WO 4 ) 2 (Li 2 O/MO/2WO 3 , 1:1:2). 6,7 Although the structures were not fully investigated at the time, a wolframite-like structure was proposed for both compounds. The wolframite ((Fe,Mn)WO 4 )-type structure is very common among MWO 4 compounds (where M 2+ is a 3d transition metal ion with a radius smaller than 1 Å), and it can be described as made up of hexagonal close-packed oxygens with certain octahe- dral sites filled by M 2+ and W 6+ cations in an ordered way. 8 Magnesium has been reported to form two double tungstates though with different stoichiometry than that proposed for Fe(II) and Cu(II): Li 2 Mg 2 (WO 4 ) 3 (1:2:3) 9 and Na 4 Mg(WO 4 ) 3 (2:1:3). 10 While no structural data have been given for the sodium-magnesium double tungstate, the crystal structure of Li 2 Mg 2 (WO 4 ) 3 was considered to be similar to that of Li 2 Fe 2 (MoO 4 ) 3 and Li 3 Fe(MoO 4 ) 3 , 11 with W 6+ tetrahedrally coordinated to four oxygen atoms. Finally, three double tungstates of divalent zinc have been reported, though none with lithium: Na 2.4 Zn 0.8 (WO 4 ) 2 , 7 Na 4 Zn(WO 4 ) 3 , 10 and K 4 Zn- (WO 4 ) 3 . 12 From these, structural data have been given * Corresponding author. Telephone: 34 91 372 47 37. Fax: 34 91 351 04 75. E-mail: UAMADOR@CEU.ES. Universidad San Pablo-CEU. Centre d’Etudes de Saclay. § U.A.N.L., San Nicola ´s de los Garza. | CINVESTAV-IPN Unidad Saltillo. (1) Musset, O.; Boquillon, J. P. Appl. Phys. B: Lasers Opt. 1997, 65 (1), 13. (2) Pujol, M. C.; Rico, M.; Zaldo, C.; Sole, R.; Nikolov, V.; Solans, X.; Aguilo, M.; Diaz, F. Appl. Phys. B 1999, 68, 187. (3) Faure, N.; Borel, C.; Couchand, M.; Basset, G.; Templier, R.; Wyon, C.; Appl. Phys. B 1996, 63, 593. (4) Byrappa, K.; Jain, A. J. Mater. Res. 1996, 11, 2869. (5) Salmon, R.; Casalot, A.; Le Flem, G.; Hegenmuller, P. Mater. Res Bull. 1970, 5, 341. (6) Klevtsova, R. F.; Borisov, S. V. Kristallografiya 1969, 14, 610. (7) Efremov, V. A.; Trunov, V. K. Russ. J. Inorg. Chem., 1974, 19, 272. (8) Keeling, R. O. Acta Crystallogr. 1957, 10, 209. (9) Fu, V.; Li, W. X. Powder Diffraction 1994, 9, 158. (10) Smirnova, N.; Kislyakov, V. Inorg. Mater. (Engl. Transl.) 1971, 7, 1683. (11) Klevtsova, R. F.; Magarill, S. A. Kristallografiya 1970, 15, 710. 3871 Chem. Mater. 2001, 13, 3871-3875 10.1021/cm010129n CCC: $20.00 © 2001 American Chemical Society Published on Web 09/22/2001