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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">10.24930/1681-9004-2025-25-2-212-220</article-id><article-id custom-type="edn" pub-id-type="custom">YVUQHF</article-id><article-id custom-type="elpub" pub-id-type="custom">litosphere-2271</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. 1. Уточнение кристаллической структуры шюллерита Ba2Na(Mn,Ca)(Fe3+,Mg,Fe2+)2Ti2(Si2O7)2(O,F)4</article-title><trans-title-group xml:lang="en"><trans-title>Pseudosymmetry and cation ordering in heterophyllosilicates. 1. Refinement of the crystal structure of schüllerite Ba2Na(Mn,Ca)(Fe3+,Mg,Fe2+)2Ti2(Si2O7)2(O,F)4</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>184209; ул. Ферсмана, 10а; Апатиты</p></bio><bio xml:lang="en"><p>Grigory S. Ilyin</p><p>184209; 10a 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>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>123182; пл. Академика Курчатова, 1; Москва</p></bio><bio xml:lang="en"><p>Ramiza K. Rastsvetaeva</p><p>123182; 1 Academician Kurchatov sq.; Mosсow</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>184209; ул. Ферсмана, 10а; Апатиты</p></bio><bio xml:lang="en"><p>Sergey M. Aksenov</p><p>184209; 10a Fersman st.; Apatity</p></bio><email xlink:type="simple">aks.crys@gmail.com</email><xref ref-type="aff" rid="aff-1"/></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>НИЦ Курчатовский институт</institution><country>Россия</country></aff><aff xml:lang="en"><institution>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>212</fpage><lpage>220</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Ильин Г.С., Чуканов Н.В., Расцветаева Р.К., Аксенов С.М., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Ильин Г.С., Чуканов Н.В., Расцветаева Р.К., Аксенов С.М.</copyright-holder><copyright-holder xml:lang="en">Ilyin G.S., Chukanov N.V., Rastsvetaeva R.K., 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/2271">https://www.lithosphere.ru/jour/article/view/2271</self-uri><abstract><sec><title>   Объект исследования</title><p>   Объект исследования. На данный момент симметрия шюллерита и выбор пространственной группы (пр. гр.) в его структуре являются дискуссионными. В данной работе выполнено повторное изучение голотипного образца шюллерита.</p></sec><sec><title>   Материалы и методы</title><p>   Материалы и методы. Минерал шюллерит найден в базальтовом карьере Лёлай (вулканический район Айфель, Германия). Кристаллическая структура образца изучена методом рентгеноструктурного анализа.</p></sec><sec><title>   Результаты</title><p>   Результаты. Нами уточнена кристаллическая структура шюллерита в рамках двух пр. гр. – ацентричной P1 и центросимметричной P1 с использованием массивов данных для 2496 и 1683 независимых отражений с I &gt; 3σ(I) соответственно. Итоговые значения R-фактора составили 4.42 % в пр. гр. P1 и 4.51 % в пр. гр. P1. Параметры триклинной элементарной ячейки: a = 5.4055(3), b = 7.0558(3), c = 10.1945(6) Å, α = 99.838(4), β = 99.715(5), γ = 90.065(4)°, V = 377.43(4) Å3. Идеализированная формула – Ba2Na(Mn,Ca)(Fe3+,Mg,Fe2+)2Ti2(Si2O7)2(O,F)4.</p></sec><sec><title>   Выводы</title><p>   Выводы. Ацентричная пр. гр. P1 предлагается в качестве более подходящей для описания структуры шюллерита, так как позволяет выявить больше существующих различий в заселенностях позиций и длинах связей катион–анион в HOH-модулях.</p></sec></abstract><trans-abstract xml:lang="en"><sec><title>   Research subject</title><p>   Research subject. Currently, the symmetry of schüllerite and the choice of space group (sp. gr.) in its structure are subjects of debate. In this work, a re-examination of the holotype sample of schüllerite was conducted.</p></sec><sec><title>   Materials and Methods</title><p>   Materials and Methods. The mineral schüllerite was found in the Löhley basalt quarry (Eifel volcanic area, Germany). The crystal structure was studied using single-crystal X-ray analysis.</p></sec><sec><title>   Results</title><p>   Results. We refined the crystal structure of schüllerite within two space groups – acentric P1 and centrosymmetric P1 using data sets for 2496 and 1683 independent reflections with I &gt; 3σ(I), respectively. The final R-factor values were 4.42 % in sp. gr. P1 and 4.51 % in sp. gr. P1 . The parameters of the triclinic unit cell are: a = 5.4055(3) Å, b = 7.0558(3) Å, c = 10.1945(6) Å, α = 99.838(4)°, β = 99.715(5)°, γ = 90.065(4)°, V = 377.43(4) Å3. The idealized formula is Ba2Na(Mn,Ca)(Fe3+,Mg,Fe2+)2Ti2(Si2O7)2(O,F)4.</p></sec><sec><title>   Conclusions</title><p>   Conclusions. The acentric space group P1 is proposed as more suitable for describing the structure of schüllerite, as it allows for the identification of more existing differences in site occupancies and cation-anion bond lengths in HOH modules.</p></sec></trans-abstract><kwd-group xml:lang="ru"><kwd>псевдосимметрия</kwd><kwd>катионное упорядочение</kwd><kwd>шюллерит</kwd><kwd>лампрофиллит</kwd><kwd>гетерофиллосиликаты</kwd></kwd-group><kwd-group xml:lang="en"><kwd>pseudosymmetry</kwd><kwd>cationic ordering</kwd><kwd>schüllerite</kwd><kwd>lamprophyllite</kwd><kwd>heterophyllosilicates</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Работа выполнена при финансовой поддержке гранта РНФ № 20-77-10065-П (рентгеноструктурный анализ и уточнение кристаллических структур). Сбор материала для исследований в карьере Лёлай и определение химического состава шюллерита выполнены в соответствии с темой государственного задания, номер государственной регистрации 124013100858-3. Кристаллохимический анализ структуры шюллерита 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 analysis and refinement of crystal structures). The collection of material for research in the Löhley quarry and the determination of the chemical composition of schüllerite were performed in accordance with the State Assignment theme, state registration number 124013100858-3. 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