Вестник БГУ. Химия. Физика
Библиографическое описание:
, , , , , Исследование свойств тройного молибдата K5Ca0.5Zr1.5(MoO4)6 методами высокотемпературной рентгенографии и импедансной спектроскопии // Вестник БГУ. Химия. Физика. - 2024. №4. . - С. 3-14.
Заглавие:
Исследование свойств тройного молибдата K5Ca0.5Zr1.5(MoO4)6 методами высокотемпературной рентгенографии и импедансной спектроскопии
Финансирование:
Исследование выполнено при финансовой поддержке Российского научного фонда в рамках научного проекта № 23-29-00327. Исследования методами порошковой рентгеновской дифракции, термического анали- за, HT-XRD и проводимости выполнены с использованием ресурсов Центра коллективного пользования научным оборудованием БИП СО РАН.
Коды:
Аннотация:
Методом твердофазной реакции получен тройной молибдат состава K5Ca0.5Zr1.5(MoO4)6. Параметры элементарной ячейки рассчитаны методом Ле-Бейля. Соединение кристаллизуется в тригональной пр. гр. R3c с параметрами элементарной ячейки a = 10.6559(1) Å; c = 37.8598(4) Å; V= 3722.99(8) Å3, Rwp = 4.11. Обнаружено, что соединение плавится инконгруэнтно при температуре 636 °C, а проводимость K5Ca0.5Zr1.5(MoO4)6 при 500°C достигает значений 1.3‧10–4 См/см, что превышает проводимость аналогичных ранее исследованных калий-циркониевых тройных молибдатов. Термические деформации исследованы методом высокотемпературной порошковой рентгенографии в интервале температур 30–500 °C. Тройной молибдат K5Ca0.5Zr1.5(MoO4)6 относится к материалам с высоким анизотропным тепловым расширением (αV ~ 44×10–6 °C–1).
Ключевые слова:
калий, кальций, цирконий, тройной молибдат, синтез, структура, термическое расширение, ионная проводимость.
Список литературы:
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Spassky D., Vasil'ev A., Jamal M. U., Morozov V.A., Lazoryak B. I., Redkin B. S., Chernenko K., Nagirnyi V. Temperature dependent energy transfer to Eu3+ emission centres in K5Eu(MoO4)4 crystals. CrystEngComm. 2024; 26 (8): 1106–1116. URL: http://dx.doi.org/10.1039/D3CE01201H (accessed: 10.11.2024).
Tsyrenova G. D., Pavlova E. Т., Solodovnikov S. F., Popova N. N., Kardash T. Y., Stefa- novich S. Y., Gudkova I. А., Solodovnikova Z. A., Lazoryak B. I. New ferroelastic K2Sr(MoO4)2: synthesis, phase transitions, crystal and domain structures, ionic conductivity. J. Solid State Chem. 2016; 237: 64–71. URL: https://doi.org/10.1016/j.jssc.2016.01.011 (ac- cessed: 10.11.2024).
Coelho A. A. TOPAS and TOPAS-Academic: an optimization program integrating com- puter algebra and crystallographic objects written in C++. Journal of Applied Crystallography. 2018; 51: 210–218. URL: https://doi.org/10.1107/S1600576718000183 (accessed: 10.11.2024).
Bubnova R. S., Firsova V. A., Filatov S. K. Software for determining the thermal expan- sion tensor and the graphic representation of its characteristic surface (theta to tensor-TTT). Glass Physics and Chemistry. 2013; 39: 347–350. URL: https://doi.org/10.1134/ S108765961303005X (accessed: 12.11.2024).
Aksenov S. M., Pavlova Er. T., Popova N. N., Tsyrenova G. D., Lazoryak B. I. Stoichi- ometry and topological features of triple molybdates AxByCz(MoO4)n with the heteropolyhedral open MT-frameworks: Synthesis, crystal structure of Rb5{Zr1.5Co0.5(MoO4)6}, and comparative crystal chemistry. Solid State Sciences. 2024; 151: 107525. URL: https://doi.org/10.1016/ j.solidstatesciences.2024.107525 (accessed: 12.11.2024).
Grossman V. G., Molokeev M. S., Bazarova J. G., Bazarov B. G. High ionic conductivi- ty of K5–xTlx(Mg0.5Hf1.5)(MoO4)6 (0 ≤ х ≤ 5) solid solutions. Solid State Sciences. 2022; 134: 107027. URL: https://doi.org/10.1016/j.solidstatesciences.2022.107027 (accessed: 12.11.2024).
Savina A. A., Khaikina E. G., Solodovnikov S. F., Solodovnikova Z. A., Belov D. A., Stefanovich S. Yu., Lazoryak B. I. New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): Synthesis, crystal structures and properties, New J. Chem. 2017; 41: 5450–5457. URL: https://doi.org/10.1039/c7nj00202e (accessed: 12.11.2024).
Bazarov B. G., Fedorov K. N., Bazarova S. T., Bazarova Zh. G. Electrical properties of molybdates in the systems M2MoO4–AMoO4–Zr(MoO4)2. Russian Journal of Applied Chemi- stry. 2002; 75: 1026–1028. DOI: 10.1023/A:1020377905907 (accessed: 12.11.2024).
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Nasri R., Larbi T., Amlouk M., Zid M. F. Investigation of the physical properties of K2Co2(MoO4)3 for photocatalytic application. J Mater Sci: Mater Electron. 2018; 29: 18372– 18379. URL: https://doi.org/10.1007/s10854-018-9951-x (accessed: 28.09.2024).
Yu Y., Wu S., Zhu X., Zhang X., Yu H., Qiu H., Wang Y. Crystal growth, structure, optical properties and laser performance of new tungstate Yb:Na2La4(WO4)7 crystals. Optical Materials. 2021; 111: 110653. URL: https://doi.org/10.1016/j.optmat.2020.110653 (accessed: 28.09.2024).
Solodovnikov S. F., Solodovnikova Z. A., Zolotova E. S., Yudin V. N., Gulyaeva O. A., Tushinova Yu. L., Kuchumov B. M. Nonstoichiometry in the systems Na2MoO4–MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates. J. Solid State Chem. 2017; 253: 121–128. URL: https://doi.org/10.1016/j.jssc.2017.05.031 (accessed: 28.09.2024).
Xu D., Zhang H., Pang L., Hussain F., Zhou T., Sun Sh.-K., Chen Zh., Zhou D. Novel B- site scheelite structure ceramic Bi(Ge0.5Mo0.5)O4 and its dielectric properties. J. Am. Ceram. Soc. 2023; 106 (11): 6675–6683. URL: https://doi.org/10.1111/jace.19282 (accessed: 20.09.2024).
Buzlukov A. L., Fedorov D. S., Serdtsev A. V., Kotova I. Yu., Tyutyunnik A. P., Korona D. V., Baklanova Ya. V., Ogloblichev V. V., Kozhevnikova N. M., Denisova T. A., Medvede- va N. I. Ion mobility in triple sodium molybdates and tungstates with a NASICON structure. J. Exp. Theor. Phys. 2022; 134: 42–50. URL: https://doi.org/10.1134/S1063776122010071 (accessed: 05.11.2024).
Bugaris D. E., Loye H.-C. Li3Al(MoO4)3, a lyonsite molybdate. Acta Cryst. C. 2012; C68: i34-i36. URL: https://doi.org/10.1107/S0108270112020513 (accessed: 05.11.2024).
Solodovnikov S. F., Gulyaeva O. A., Savina A. A., Yudin V. N., Buzlukov A. L., Solo- dovnikova Z. A., Zolotova E. S., Spiridonova T. S., Khaikina E. G., Stefanovich S. Yu., Med- vedeva N. I., Baklanova Ya. V., Denisova T. A. Molybdates and tungstates of the alluaudite family: crystal chemistry, composition, and ionic mobility. J. Struct. Chem. 2022; 63: 1101– 1133. URL: https://doi.org/10.1134/S0022476622070071 (accessed: 05.11.2024).
Spiridonova T. S., Solodovnikov S. F., Molokeev M. S., Solodovnikova Z. A., Savi- na A. A., Kadyrova Yu. M., Sukhikh A. S., Kovtunets E. V., Khaikina E. G. Synthesis, crystal structures, and properties of new acentric glaserite-related compounds Rb7Ag(5–3x)Sc(2+x)(XO4)9 (X = Mo, W). J. Solid State Chem. 2022; 305: 122638. URL: https://doi.org/10.1016/j.jssc.2021.122638 (accessed: 10.11.2024).
Grossman V. G., Molokeev M. S., Bazarov B. G., Bazarova J. G. Synthesis and charac- terization of a new magnesium molybdates Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) with a langbei- nite type structure. Solid State Sci. 2023; 142: 107249. URL: https://doi.org/10.1016/ j.solidstatesciences.2023.107249 (accessed: 10.11.2024).
Grossman V. G., Molokeev M. S., Bazarov B. G., Bazarova J. G. Potassium and thallium conductors with a trigonal structure in the M2MoO4–Cr2(MoO4)3–Zr(MoO4)2 (M = K, Tl) systems: synthesis, structure, and ionic conductivity. J. Alloys Compd. 2021; 873: 159828. URL: https://doi.org/10.1016/j.jallcom.2021.159828 (accessed: 10.11.2024).
Chimitova O. D., Bazarov B. G., Bazarova J. G., Atuchin V. V., Azmi R., Sarapulo- va A. E., Mikhailova D., Balachandran G., Fiedler A., Geckle U., Prots Y., Komarek A. C., Gavrilova T. A., Prosvirin I. P., Yang Y., Lin Z., Knapp M., Ehrenberg H. The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion. CrystEngComm. 2021; 23: 3297–3307. URL: https://doi.org/10.1039/D1CE00118C (accessed: 10.11.2024).
Liu M., Zhang Y., Zou T., Garlea V. O., Charlton T., Wang Y., Liu F., Xie Y., Li X., Yang L., Li B., Wang X., Dong S., Liu J.-M. Antiferromagnetism of double molybdate LiFe(MoO4)2. Inorg. Chem. 2020; 59: 8127–8133. URL: https://doi.org/10.1021/ acs.inorgchem.0c00432 (accessed: 10.11.2024).
Kovtunets E., Tushinova Yu., Bazarov B., Bazarova J., Logvinova A., Spiridonova T. Ho2Zr(MoO4)5 — A novel double molybdate with negative thermal expansion. Solid State Sciences. 2024; 150: 107482. URL: https://doi.org/10.1016/j.solidstatesciences.2024.107482 (accessed: 10.11.2024).
Spassky D., Vasil'ev A., Jamal M. U., Morozov V.A., Lazoryak B. I., Redkin B. S., Chernenko K., Nagirnyi V. Temperature dependent energy transfer to Eu3+ emission centres in K5Eu(MoO4)4 crystals. CrystEngComm. 2024; 26 (8): 1106–1116. URL: http://dx.doi.org/10.1039/D3CE01201H (accessed: 10.11.2024).
Tsyrenova G. D., Pavlova E. Т., Solodovnikov S. F., Popova N. N., Kardash T. Y., Stefa- novich S. Y., Gudkova I. А., Solodovnikova Z. A., Lazoryak B. I. New ferroelastic K2Sr(MoO4)2: synthesis, phase transitions, crystal and domain structures, ionic conductivity. J. Solid State Chem. 2016; 237: 64–71. URL: https://doi.org/10.1016/j.jssc.2016.01.011 (ac- cessed: 10.11.2024).
Coelho A. A. TOPAS and TOPAS-Academic: an optimization program integrating com- puter algebra and crystallographic objects written in C++. Journal of Applied Crystallography. 2018; 51: 210–218. URL: https://doi.org/10.1107/S1600576718000183 (accessed: 10.11.2024).
Bubnova R. S., Firsova V. A., Filatov S. K. Software for determining the thermal expan- sion tensor and the graphic representation of its characteristic surface (theta to tensor-TTT). Glass Physics and Chemistry. 2013; 39: 347–350. URL: https://doi.org/10.1134/ S108765961303005X (accessed: 12.11.2024).
Aksenov S. M., Pavlova Er. T., Popova N. N., Tsyrenova G. D., Lazoryak B. I. Stoichi- ometry and topological features of triple molybdates AxByCz(MoO4)n with the heteropolyhedral open MT-frameworks: Synthesis, crystal structure of Rb5{Zr1.5Co0.5(MoO4)6}, and comparative crystal chemistry. Solid State Sciences. 2024; 151: 107525. URL: https://doi.org/10.1016/ j.solidstatesciences.2024.107525 (accessed: 12.11.2024).
Grossman V. G., Molokeev M. S., Bazarova J. G., Bazarov B. G. High ionic conductivi- ty of K5–xTlx(Mg0.5Hf1.5)(MoO4)6 (0 ≤ х ≤ 5) solid solutions. Solid State Sciences. 2022; 134: 107027. URL: https://doi.org/10.1016/j.solidstatesciences.2022.107027 (accessed: 12.11.2024).
Savina A. A., Khaikina E. G., Solodovnikov S. F., Solodovnikova Z. A., Belov D. A., Stefanovich S. Yu., Lazoryak B. I. New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): Synthesis, crystal structures and properties, New J. Chem. 2017; 41: 5450–5457. URL: https://doi.org/10.1039/c7nj00202e (accessed: 12.11.2024).
Bazarov B. G., Fedorov K. N., Bazarova S. T., Bazarova Zh. G. Electrical properties of molybdates in the systems M2MoO4–AMoO4–Zr(MoO4)2. Russian Journal of Applied Chemi- stry. 2002; 75: 1026–1028. DOI: 10.1023/A:1020377905907 (accessed: 12.11.2024).
Shannon R. D. Revised effective ionic radii and systematic studies of interatomic dis- tances in halides and chalcogenides. Acta Crystallographica. 1976; 32: 751–767. URL: https://doi.org/10.1107/S0567739476001551 (accessed: 12.11.2024).
Pet’kov V. I., Shipilov A. S., Sukhanov M. V. Thermal Expansion of MZr2(AsO4)3 and MZr2(TO4)x(PO4)3–x (M = Li, Na, K, Rb, Cs; T = As, V). Inorganic Materials. 2015; 51 (11): 1079–1085. URL: https://doi.org/10.1134/S002016851510012X (accessed: 12.11.2024).
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