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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">litosphere</journal-id><journal-title-group><journal-title xml:lang="ru">Литосфера</journal-title><trans-title-group xml:lang="en"><trans-title>LITHOSPHERE (Russia)</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">1681-9004</issn><issn pub-type="epub">2500-302X</issn><publisher><publisher-name>A.N. Zavaritsky Institute of Geology and Geochemistry</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.24930/1681-9004-2025-25-2-221-237</article-id><article-id custom-type="edn" pub-id-type="custom">YIZYIC</article-id><article-id custom-type="elpub" pub-id-type="custom">litosphere-2272</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>СТРУКТУРА И СВОЙСТВА МИНЕРАЛОВ</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>STRUCTURE AND PROPERTIES OF MINERALS</subject></subj-group></article-categories><title-group><article-title>Псевдосимметрия и особенности катионного упорядочения в гетерофиллосиликатах. 2. Уточнение кристаллической структуры Ca-содержащего минерала ряда перротита</article-title><trans-title-group xml:lang="en"><trans-title>Pseudosymmetry and cation ordering in heterophyllosilicates. 2. Refinement of the crystal structure of Ca-bearing mineral of the perraultite series</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ильин</surname><given-names>Г. С.</given-names></name><name name-style="western" xml:lang="en"><surname>Ilyin</surname><given-names>G. S.</given-names></name></name-alternatives><bio xml:lang="ru"><p>лаборатория арктической минералогии и материаловедения</p><p>184209; ул. Ферсмана, 14; Апатиты</p></bio><bio xml:lang="en"><p>Grigory S. Ilyin</p><p>Laboratory of Arctic Mineralogy and Material Sciences</p><p>184209; 14 Fersman st.; Apatity</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Чуканов</surname><given-names>Н. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Chukanov</surname><given-names>N. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>142432; пр-т Академика Семенова, 1; Черноголовка</p></bio><bio xml:lang="en"><p>Nikita V. Chukanov</p><p>142432; 1 Academician Semenov av.; Chernogolovka</p></bio><xref ref-type="aff" rid="aff-2"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Пеков</surname><given-names>И. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Pekov</surname><given-names>I. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>геологический факультет</p><p>119991; Ленинские горы, 1; Москва</p></bio><bio xml:lang="en"><p>Igor V. Pekov</p><p>Faculty of Geology</p><p>119991; 1 Leninskie Gory; Moscow</p></bio><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ямнова</surname><given-names>Н. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Yamnova</surname><given-names>N. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>геологический факультет</p><p>119991; Ленинские горы, 1; Москва</p></bio><bio xml:lang="en"><p>Natalia A. Yamnova</p><p>Faculty of Geology</p><p>119991; 1 Leninskie Gory; Moscow</p></bio><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Расцветаева</surname><given-names>Р. К.</given-names></name><name name-style="western" xml:lang="en"><surname>Rastsvetaeva</surname><given-names>R. K.</given-names></name></name-alternatives><bio xml:lang="ru"><p>119333; Ленинский пр., 59; Москва</p></bio><bio xml:lang="en"><p>Ramiza K. Rastsvetaeva</p><p>199333; 59 Leninskii av.; Mosсow</p></bio><xref ref-type="aff" rid="aff-4"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Япаскурт</surname><given-names>В. О.</given-names></name><name name-style="western" xml:lang="en"><surname>Yapaskurt</surname><given-names>V. O.</given-names></name></name-alternatives><bio xml:lang="ru"><p>геологический факультет</p><p>119991; Ленинские горы, 1; Москва</p></bio><bio xml:lang="en"><p>Vasiliy O. Yapaskurt</p><p>Faculty of Geology</p><p>119991; 1 Leninskie Gory; Moscow</p></bio><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Аксенов</surname><given-names>С. М.</given-names></name><name name-style="western" xml:lang="en"><surname>Aksenov</surname><given-names>S. M.</given-names></name></name-alternatives><bio xml:lang="ru"><p>лаборатория арктической минералогии и материаловедения</p><p>184209; ул. Ферсмана, 14; Апатиты; 119333; Ленинский пр., 59; Москва</p></bio><bio xml:lang="en"><p>Sergey M. Aksenov</p><p>Laboratory of Arctic Mineralogy and Material Sciences</p><p>184209; 14 Fersman st.; Apatity; 199333; 59 Leninskii av.; Mosсow</p></bio><email xlink:type="simple">aks.crys@gmail.com</email><xref ref-type="aff" rid="aff-5"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Федеральный исследовательский центр “Кольский научный центр Российской академии наук”</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Federal Research Center “Kola Science Center RAS”</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru"><institution>ФИЦ Проблем химической физики и медицинской химии РАН</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, RAS</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-3"><aff xml:lang="ru"><institution>Московский государственный университет имени М.В. Ломоносова</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Moscow State University</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-4"><aff xml:lang="ru"><institution>Курчатовский комплекс кристаллографии и фотоники, НИЦ Курчатовский институт</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Kurchatov Complex of Crystallography and Photonics, NRC Kurchatov Institute</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-5"><aff xml:lang="ru"><institution>Федеральный исследовательский центр “Кольский научный центр Российской академии наук”; Курчатовский комплекс кристаллографии и фотоники, НИЦ Курчатовский институт</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Federal Research Center “Kola Science Center RAS”; Kurchatov Complex of Crystallography and Photonics, NRC Kurchatov Institute</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2025</year></pub-date><pub-date pub-type="epub"><day>04</day><month>05</month><year>2025</year></pub-date><volume>25</volume><issue>2</issue><issue-title>Минералы: строение, свойства, методы исследования</issue-title><fpage>221</fpage><lpage>237</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Ильин Г.С., Чуканов Н.В., Пеков И.В., Ямнова Н.А., Расцветаева Р.К., Япаскурт В.О., Аксенов С.М., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Ильин Г.С., Чуканов Н.В., Пеков И.В., Ямнова Н.А., Расцветаева Р.К., Япаскурт В.О., Аксенов С.М.</copyright-holder><copyright-holder xml:lang="en">Ilyin G.S., Chukanov N.V., Pekov I.V., Yamnova N.A., Rastsvetaeva R.K., Yapaskurt V.O., Aksenov S.M.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://www.lithosphere.ru/jour/article/view/2272">https://www.lithosphere.ru/jour/article/view/2272</self-uri><abstract><sec><title>   Объект исследования</title><p>   Объект исследования. Вопрос симметрии и выбора пространственной группы (пр. гр.) для структур перротита и родственных ему минералов – бафертиситоподобных Mn/Fe-Ti-гетерофиллосиликатов с упорядоченными щелочными и щелочноземельными катионами – является дискуссионным. В настоящей работе изучена кристаллическая структура Ca-содержащего члена ряда перротита.</p></sec><sec><title>   Материалы и методы</title><p>   Материалы и методы. Образец происходит из Октябрьского щелочного массива (Северное Приазовье). Кристаллическая структура минерала изучена методом рентгеноструктурного анализа. Параметры моноклинной элементарной ячейки: a = 10.7230(3), b = 13.8313(4), c = 20.8178(7) Å, β = 95.0348(3)°, V = 3075.638(15) Å3.</p></sec><sec><title>   Результаты</title><p>   Результаты. Структура уточнена в рамках двух пр. гр. – C2 и C2/m с использованием массивов данных для 5120 и 2948 независимых отражений с I &gt; 3σ(I) соответственно. Итоговые значения R-фактора составили 4.66 % в пр. гр. C2 и 4.84 % в пр. гр. C2/m. Для модели в пр. гр. C2 кристаллохимическая формула изученного образца имеет вид (Z = 2): A1(Ba) A2(Ba0.64K0.36)2 A3(K0.87Ba0.13) B1(Na0.70Ca0.30) B2(Na0.70Ca0.30) B3(Na0.90Ca0.10)2 [M1(Mn0.50Fe2+ 0.40Zn0.10) M2(Mn0.60Fe2+0.30Zn0.10) M3(Mn0.50Fe2+0.50) M4(Mn0.70Fe2+0.30) M5(Mn0.50Fe2+0.50) M6(Mn0.60Fe2+0.40) M7(Mn0.60Fe2+0.40) M8(Mn0.70Fe2+0.30) (OH)4]2 [Ti1(Ti0.91Nb0.09) Ti2(Ti0.91Nb0.09) Ti3(Ti0.77Nb0.13Zr0.10) Ti4(Ti0.91Nb0.09)(Si2O7)4O4F2]2, где квадратными скобками выделены основные ключевые фрагменты структуры.</p></sec><sec><title>   Выводы</title><p>   Выводы. Пр. гр. C2 предлагается в качестве более подходящей для описания структуры типа перротита, так как позволяет лучше выявить особенности заселенности позиций в HOH-модулях. Изученный минерал из Октябрьского массива является F-доминантным аналогом перротита, отличаясь от последнего также присутствием в составе кальция, высоким содержанием железа и низким – ниобия.</p></sec></abstract><trans-abstract xml:lang="en"><sec><title>   Object of Study</title><p>   Object of Study. The symmetry and the choice of the space group (sp. gr.) for the structures of perraultite and related minerals – bafertisite-like Mn/Fe-Ti heterophyllosilicates with ordered alkali and alkaline earth cations is still under discussion. In the present work, the crystal structure of the Ca-containing member of the perraultite series is studied.</p></sec><sec><title>   Materials and Methods</title><p>   Materials and Methods. The mineral perraultite used in this research was collected from the Oktyabrsky alkaline massif (Northern Azov Sea region). The crystal structure of the sample was studied using single crystal X-ray diffraction analysis. The parameters of the monoclinic unit cell are: a = 10.7230(3) Å, b = 13.8313(4) Å, c = 20.8178(7) Å, β = 95.0348(3)°, V = 3075.638(15) Å3.</p></sec><sec><title>   Results</title><p>   Results. The crystal structure of perraultite was refined within two space groups, C2 and C2/m, using data sets for 5120 and 2948 independent reflections with I &gt; 3σ(I), respectively. The final R-factor values were 4.66 % for the sp. gr. C2 and 4.84 % for sp. gr. C2/m. For the structural model refined using the sp. gr. C2 the crystal chemical formula is (Z = 2): A1(Ba) A2(Ba0.64K0.36)2 A3(K0.87Ba0.13) B1(Na0.70Ca0.30) B2(Na0.70Ca0.30) B3(Na0.90Ca0.10)2 [M1(Mn0.50Fe2+0.40Zn0.10) M2(Mn0.60Fe2+0.30Zn0.10) M3(Mn0.50Fe2+0.50) M4(Mn0.70Fe2+0.30) M5(Mn0.50Fe2+0.50) M6(Mn0.60Fe2+0.40) M7(Mn0.60Fe2+0.40) M8(Mn0.70Fe2+0.30) (OH)4]2 [Ti1(Ti0.91Nb0.09) Ti2(Ti0.91Nb0.09) Ti3(Ti0.77Nb0.13Zr0.10) Ti4(Ti0.91Nb0.09) (Si2O7)4O4F2]2, where square brackets denote the main structural fragments.</p></sec><sec><title>   Conclusions</title><p>   Conclusions. The sp. gr. C2 is proposed as more suitable for describing the perrotite-type structure, since it allows better identification of the features of the occupancy of positions within the HOH modules. The studied mineral from the Oktyabrsky massif is a F-dominant analogue of perraultite, differing from the latter also by the presence of calcium, a high iron content and a low niobium content.</p></sec></trans-abstract><kwd-group xml:lang="ru"><kwd>псевдосимметрия</kwd><kwd>катионное упорядочение</kwd><kwd>кристаллическая структура</kwd><kwd>перротит</kwd><kwd>сурхобит</kwd><kwd>группа бафертисита</kwd><kwd>гетерофиллосиликат</kwd><kwd>Октябрьский щелочной массив</kwd></kwd-group><kwd-group xml:lang="en"><kwd>pseudosymmetry</kwd><kwd>cationic ordering</kwd><kwd>crystal structure</kwd><kwd>perraultite</kwd><kwd>surkhobite</kwd><kwd>bafertisite group</kwd><kwd>heterophyllosilicate</kwd><kwd>Oktyabrskiy alkaline massif</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Работа выполнена при финансовой поддержке гранта РНФ № 20-77-10065-П (рентгеноструктурный и топологический анализ и уточнение кристаллических структур). Минералогические исследования выполнены в соответствии с темами государственного задания №№ 124013100858-3 и 121061600049-4. Кристаллохимический анализ минералов выполнен частично в рамках государственного задания НИЦ “Курчатовский институт”</funding-statement><funding-statement xml:lang="en">This work supported by the Russian Science Foundation, grant No. 20-77-10065-П (X-ray structural and topological analysis and refinement of crystal structures. Mineralogical investigations were performed in accordance with the state tasks Nos. 124013100858-3 and 121061600049-4. 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