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Xix International Meeting on Crystal Chemistry, X-Ray Diffraction and Spectroscopy of Minerals

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Xix International Meeting on Crystal Chemistry, X-Ray Diffraction and Spectroscopy of Minerals Federal Research Centre «Kola Science Centre of the Russian Academy of Sciences» XIX INTERNATIONAL MEETING ON CRYSTAL CHEMISTRY, X-RAY DIFFRACTION AND SPECTROSCOPY OF MINERALS Dedicated to the memory of Academician E.S. Fedorov (1853 - 1919) Apatity 2019 УДК 548:549.02 ББК 26.31 DOI: 10.25702/KSC. 978-5-91137-352-8 XIX International Meeting on Crystal Chemistry, X-ray Diffraction AND Spectroscopy of Minerals. Dedicated to the memory of Academician E.S. Fedorov (1853 – 1919). Book of Abstracts (Сборник тезисов). Под ред. С.В. Кривовичева. Апатиты, Изд-во КНЦ РАН, 2019. 237 с. ISBN 978-5-91137-352-8 Сборник включает в себя тезисы докладов, представленных на XIX Международном совещании по кристаллохимии, рентгенографии и спектроскопии минералов, проходившем с 1 по 5 июля 2019 года в г. Апатиты (Кольский полуостров, Россия). В число основных тем докладов входят: теория и современные методы дифракционного и спектроскопического исследования минерального вещества и неорганических материалов; кристаллохимия неорганических соединений природного (минералы) и искусственного происхождения, включая материалы с интересными физико-химическими свойствами; неорганическое материаловедение (катодные материалы, протонные проводники, микропористые материалы и сорбенты, ионные проводники и т.д.); проблемы генезиса и свойств алмазов; описательная минералогия (новые минералы и новые находки минералов); прикладная минералогия (в связи с проблемами археологии и захоронения радиоактивных отходов); история кристаллографии. Издание предназначено для специалистов в области минералогии, кристаллографии, спектроскопии и материаловедения. УДК 548:549.02 ББК 26.31 Сборник выпущен при поддержке и финансировании РФФИ, договор № 19-05-20059/19 Научное издание Технический редактор: В. Ю. Жиганов Подписано к печати 25.06.2019. Формат 60х84/8. Усл. печ. л. 26.04. Тираж 300 экз. Заказ № 23. Издательство ФГБУН ФИЦ КНЦ РАН. 184209, г. Апатиты, Мурманская область, ул. Ферсмана, 14. www.naukaprint.ru ISBN 978-5-91137-352-8 © С.В. Кривовичев, 2019 © ФИЦ КНЦ РАН, 2019 2 Table of contents 1. General Aspects ...................................................................................................................................... 11 E.S.Fedorov promoting the Russian-German scientific interrelationship .......................................... 12 The Fedorov–Groth Law Revisited: Complexity Analysis Using Mineralogical Data .......................... 14 Crystal defects and flow in minerals from the Earth’s mantle ........................................................... 15 Synchrotron Radiation in Geoscience: Current State and Future Perspectives ................................. 16 Still waters run deep ........................................................................................................................... 17 On the crystal chemical identification and classification of minerals ................................................ 18 Semi empirical atomistic modeling in inorganic crystal chemistry and structural mineralogy: limitations and possibilities ................................................................................................................ 19 200 years after discovery of the general phenomena of crystal chemistry by Eilhard Mitscherlich: iso- and polymorphism, highly anisotropic and negative thermal expansion ................................... 20 Unusual polymorph transformations: in situ HTXRD data ................................................................. 21 Theoretically and experimentally investigation of deviation from the Vegard’s law forsolid solutions: hybrid halide perovskite system ........................................................................................ 22 The Quantitative Estimation of the Degree of Similarity of Coordination Polyhedra ........................ 23 Fedorov’s Group of Crystallographic Symmetry – Transformation Algorithms Space and Energy while Implementing a Stable Atomic Configurations ......................................................................... 24 Evolutional search of own mineral phases of aluminum in the lower mantle of the Earth............... 25 An evolutionary system of mineralogy: Proposal for a classification of planetary materials based on natural kind clustering ........................................................................................................................ 26 Data-driven discovery in mineral systems: applications of advanced analytics and visualization .... 27 Mineral phylogenyby means of secondary transformationof precursorspecies ............................... 28 Evolution and structure complexity of lithium minerals: applying of network analysis .................... 29 2. Diffraction: Theory and Experiment ....................................................................................................... 31 Modern day mineralogy usitilising X-ray diffraction .......................................................................... 32 Quantitative nanostructure information from diffraction data: what can the diffraction pattern tell you? .................................................................................................................................................... 34 Evaluation of the best weighting schemefor the maximum entropy Patterson method .................. 35 The direct derivation (DD) method: a new technique for quantitative phase analysis using observed intensities of individual phases and their chemical composition data .............................................. 36 Quantitative X-ray analysis of natural and artificial supplementary cementitious materials originating from Industrial residues and natural pozzolanic rocks .................................................... 37 A multi-criteria genetic algorithm for a crystal structure determination .......................................... 39 from powder diffraction data ............................................................................................................. 39 3. Spectroscopy: Theory and Experiment ................................................................................................... 41 Multilayered mineralogical information in spectroscopy of minerals ............................................... 42 3 Table of contents Cathodoluminescence (CL) microscopy and spectroscopy of magmatic and metamorphic minerals: New avenues for petrological applications ........................................................................................ 44 Luminescence of natural zircon at VUV- and soft X-ray excitation induced by lazer and synchrotron ............................................................................................................................................................ 45 The Crystals of Ge, Ga-rich Topaz: Crystal Growth, Germanium and Gallium Distribution, Raman Spectroscopy ...................................................................................................................................... 46 VIS-spectroscopy Study of Co-blue spinel from Luc Yen, Vietnam. ................................................... 47 Optical spectroscopy for analyzing of the cation disordering in MgAl2O4 spinel ............................... 48 Raman study of hydroxide-perovskite [MgSi(OH)6] at high pressure up to 7 GPa ............................ 49 EPR in single crystals of technogenic gypsum and powders of its dehydration products ................. 50 Investigation of ceramics BiNbO4 doped by ions of Fe and Mn by ESR spectroscopy ....................... 51 Complex internal textures in kyanite: a CL, EBSD and Raman spectroscopic study .......................... 52 Crystal-chemistry, Raman spectroscopy and origin of some natural LILE-enriched exotic titanate minerals .............................................................................................................................................. 53 Raman spectroscopy and imaging in mineralogical stomatology ...................................................... 54 Application of Mössbauer, ESR, and FT-IR spectroscopy for mineralogical and technological studies of refractory Fe-Ti and Fe-Mn ores .................................................................................................... 55 Statistical methods for processing large sets of spectroscopic digital data ....................................... 56 Europium as a spectroscopic probe to determination site symmetry ............................................... 58 Crystal Chemical and Structural Characterization of Minerals by Vibrational Spectroscopy and X-Ray Diffraction Methods ........................................................................................................................... 59 Spectral Characterization of the Ammonium Cation located in the structurally `Inappropriate` Positions ............................................................................................................................................. 60 Measurement of platinum group elements in catalysts processing products using SEM and energy dispersive spectrometer ..................................................................................................................... 61 4. Inorganic Crystal Chemistry .................................................................................................................... 63 4.1. Silicates ...........................................................................................................................................
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