ChemInform Abstract: Synthesis, Structural and Spectroscopic Properties of Acentric Triple Molybdate Cs₂NaBi(MoO₄)₃.

Abstract

Cs 2NaBi(MoO4)3. -Single crystals of Cs2NaBi(MoO4)3 are grown by annealing (673-773 K, 60 h) of a mixture of Na 2MoO4 (obtained via calcination of the hydrate), Cs2MoO4 (obtained by annealing Cs2CO3 and MoO3, 823 K, 60 h), and Bi2(MoO4)3 (obtained by reacting Bi 2O3 and MoO3, 723-773 K, 50 h). The compound crystallizes in the noncentrosymmetric trigonal space group R3c (Z = 12, single crystal XRD) in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered with Mo tetrahedrally coordinated, Bi in octahedral, and Na in distorted trigonal prismatic coordination. Cs(1) and Cs (2) reside in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions are found in Cs 2NaBi(MoO4)3 up to the melting point at 826 K. The compound shows an SHG signal of I 2w/I2w(SiO2) = 5. Raman spectroscopic data are also given. -(SAVINA, A. A.; ATUCHIN*, V. V.; SOLODOVNIKOV, S. F.; SOLODOVNIKOVA, Z. A.; KRYLOV, A. S.; MAXIMOVSKIY, E. A.; MOLOKEEV, M. S.; ORESHONKOV, A. S.; PUGACHEV, A. M.; KHAIKINA, E. G.; J. Solid State Chem. 225 (2015) 53-58, http://dx.

Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er3+/Yb3+: structural and spectroscopic properties

“…To find model parameters, a special optimization program was written and tested for several compounds from different chemical classes. 7,47,[61][62][63][64][65][66] The initial parameter values were accepted as random ones and lattice stability conditions were taken into account. The resulting model parameters were obtained by minimization of residual difference values of the simulated and experimental Raman frequencies of pure NCLM using the Fletcher-Reeves method.…”