Crystal structure, dimensionality, and 4d electron distribution in K0.30MoO3 and Rb0.30MoO3

作者: M. Ghedira , J. Chenavas , M. Marezio , J. Marcus

DOI: 10.1016/0022-4596(85)90154-9

关键词: Electrical resistivity and conductivityInorganic compoundElectronAnisotropyX-ray crystallographyCrystallographyCrystal structureSingle crystalLattice (order)Chemistry

摘要: Abstract Single crystals of K0.30MoO3 and Rb0.30MoO3 were synthesized by electrolytic reduction MoO3/ A2MoO4 melts. The crystal structures refined from X-ray diffraction data (3265 1280 independent reflections, respectively). finalR andwR factors 0.037 0.047 for the K bronze 0.031 0.033 Rb bronze. lattice parameters body-centered cells used in present refinements were: K0.30Mo03,a = 16.2311(7),b 7.5502(4),c 9.8614(4)A˚,β 94.895(4)o; Rb0.30MoO3,a 16.361(3),b 7.555(1),c 10.094(2)A˚,β 93.87(5)o. 4d electron distribution over 20 Mo sites [4Mo(1), 8Mo(2), 8Mo(3)] unit cell are 10, 45, 45% K0.30Mo03 14, 43, 43% Rb0.30MoO3, respectively. In both cases about 90% electrons situated on those which contribute to electrical conductivity. variations versus temperature reported. thermal linear-expansion coefficient is highly anisotropic. structural dimensionality depends upon sublattice under consideration. K, Mo, O sublattices mono-, two-, three-dimensional, relationship between physical properties discussed.

参考文章(15)
R. Brusetti, B. K. Chakraverty, J. Devenyi, J. Dumas, J. Marcus, C. Schlenker, Transport Properties of the Blue Bronze K0.30MoO3 Springer, Boston, MA. pp. 181- 190 ,(1981) , 10.1007/978-1-4684-3899-4_24
G. Travaglini, I. Mörke, P. Wachter, CDW evidence in one-dimensional K0.3MoO3 by means of Raman scattering Solid State Communications. ,vol. 45, pp. 289- 292 ,(1983) , 10.1016/0038-1098(83)90483-0
J. Graham, A. D. Wadsley, The crystal structure of the blue potassium molybdenum bronze, K0.28MoO3 Acta Crystallographica. ,vol. 20, pp. 93- 100 ,(1966) , 10.1107/S0365110X66000173
Pierre Strobel, Martha Greenblatt, Crystal growth and electrical properties of lithium, rubidium, and cesium molybdenum oxide bronzes Journal of Solid State Chemistry. ,vol. 36, pp. 331- 338 ,(1981) , 10.1016/0022-4596(81)90444-8
W.H Zachariasen, Bond lengths in oxygen and halogen compounds of d and f elements Journal of The Less Common Metals. ,vol. 62, pp. 1- 7 ,(1978) , 10.1016/0022-5088(78)90010-3
G. Travaglini, P. Wachter, J. Marcus, C. Schlenker, The blue bronze K0.3MoO3: A new one-dimensional conductor Solid State Communications. ,vol. 37, pp. 599- 603 ,(1981) , 10.1016/0038-1098(81)90143-5
J. Dumas, C. Schlenker, J. Marcus, R. Buder, Nonlinear Conductivity and Noise in the Quasi One-Dimensional Blue Bronze K 0.30 Mo O 3 Physical Review Letters. ,vol. 50, pp. 757- 760 ,(1983) , 10.1103/PHYSREVLETT.50.757
J.P. Pouget, S. Kagoshima, C. Schlenker, J. Marcus, Evidence for a Peierls transition in the blue bronzes K0.30MoO 3 and Rb0.30MoO3 Journal de Physique Lettres. ,vol. 44, pp. 113- 120 ,(1983) , 10.1051/JPHYSLET:01983004403011300
H. Vincent, M. Ghedira, J. Marcus, J. Mercier, C. Schlenker, Structure cristalline d'un conducteur métallique bidimensionnel: Le bronze violet de potassium et molybdene K0.9Mo6O17 Journal of Solid State Chemistry. ,vol. 47, pp. 113- 121 ,(1983) , 10.1016/0022-4596(83)90050-6