Structure of wadalite Ca6Al5Si2O16Cl3

Tsukimura, Katsuhiro; Kanazawa, Yasuo; Aoki, Masahiro; Bunno, Michiaki

doi:10.1107/s0108270192005481

Cited by 22 publications

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“…The structure of proton-conductor Cs 3 Li(DSO 4 ) 4 is an example of a similar framework of the (Li 1/3 & 2/3 )O 4 and SO 4 tetrahedra (Klooster et al, 2004). We have also noted (Solodovnikov et al, 2007;Zolotova et al, 2016) that mayenite 12CaOÁ7Al 2 O 3 (Bartl & Scheller, 1970) and the related compounds 11CaOÁ7Al 2 O 3 ÁCaF 2 (Williams, 1973), wadalite Ca 6 Al 5 Si 2 O 16 Cl 3 (Tsukimura et al, 1993) and other minerals (Galuskin et al, 2015) crystallizing in the space group I43d, as well as Na 6 Zn 3 (AsO 4 ) 4 Á3H 2 O (Grey et al, 1989) and Na 6 Zn 3 (PO 4 ) 4 Á3H 2 O (Bu et al, 1997), with the space group P2 1 3, have 'polymorphous modifications' of the Cs 6 Zn 5 (MoO 4 ) 8 structure framework. In mayenite Ca 12 (O& 5 )[Al 6 (AlO 4 ) 8 ] 31 and related structures, the directions of the terminal vertices of the Al(Si)O 4 or As(P)O 4 tetrahedra along the threefold axes are opposite compared to the orientation of the MoO 4 or WO 4 tetrahedra in the Cs 6 Zn 5 (MoO 4 ) 8 family (Fig.…”

Section: Crystal Chemistry Of the Cs 6 Zn 5 (Moo 4 ) 8 Family And Relmentioning

confidence: 87%

Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure

et al. 2017

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Two new compounds, namely cubic tricaesium lithium dizinc tetrakis(tetraoxotungstate), CsLiZn(WO), and tetragonal trirubidium dilithium gallium tetrakis(tetraoxomolybdate), RbLiGa(MoO), belong to the structural family of CsZn(MoO) (space group I-43d, Z = 4), with a partially incomplete (Zn□) position. In CsLiZn(WO), this position is fully statistically occupied by (ZnLi), and in RbLiGa(MoO), the 2Li + Ga atoms are completely ordered in two distinct sites of the space group I-42d (Z = 4). In the same way, the crystallographically equivalent A cations (A = Cs, Rb) in CsZn(MoO), CsLiZn(WO) and isostructural ALiZn(MoO) and CsLiCo(MoO) are divided into two sites in RbLiGa(MoO), as in other isostructural ALiR(MoO) compounds (AR = TlAl, RbAl, CsAl, CsGa, CsFe). In the title structures, the WO and (Zn,Li)O or LiO, GaO and MoO tetrahedra share corners to form open three-dimensional frameworks with the caesium or rubidium ions occupying cuboctahedral cavities. The tetrahedral frameworks are related to that of mayenite 12CaO·7AlO and isotypic compounds. Comparison of isostructural CsMZn(MoO) (M = Li, Na, Ag) and CsZn(MoO) shows a decrease of the cubic lattice parameter and an increase in thermal stability with the filling of the vacancies by Li in the Zn position of the CsZn(MoO) structure, while filling of the cation vacancies by larger Na or Ag ions plays a destabilizing role. The series ALiR(MoO) shows second harmonic generation effects compatible with that of β'-Gd(MoO) and may be considered as nonlinear optical materials with a modest nonlinearity.

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Section: Crystal Chemistry Of the Cs 6 Zn 5 (Moo 4 ) 8 Family And Relmentioning

confidence: 87%

Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure

et al. 2017

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“…Беллерберг, Восточный Айфель, Германия [Hentschel, 1964]. В 1993 г. был открыт вадалит Ca 12 Al 10 Si 4 O 32 [Cl 6 ], выявленный в скарновых ксенолитах из андезитовых лав Фукушима, Япония [Tsukimura et al, 1993] и по структуре близкий к майениту. С 2010 г. было утверждено шесть новых минералов, структурно относящихся к майениту и вадалиту: бреарлеит Ca 12 Al 14 O 32 [□ 4 Cl 2 ] (IMA2010-062 [Ma et al, 2011]); эльтюбюит Ca 12 Fe 3+…”

Section: минералы надгруппы майенита: историческая справкаunclassified

“…Процессы горения в терриконах угольных шахт приводят к термальным преобразованиям и плавлению исходных осадочных пород [Чесноков, Щербакова, 1991;Sokol et al, 1998Sokol et al, , 2002aЧесноков, 1999;Шарыгин и др., 1999;Сокол и др., 2005;Шарыгин, 2011;Hršelova et al, 2013;Sharygin, 2010]. Карбонатные осадочные породы (известняки, сидериты, анкериты, доломиты и окаменелое дерево карбонатного состава) и продукты их преобразования являются обычными компонентами терриконов угольных шахт различных регионов мира, реже они встречаются в природных угольных пожарах [Чесноков, Щербакова, 1991; Сокол и др., 2005, 2014; Затеева и др., 2007; Нигматулина, Нигматулина, 2009] и в виде ксенолитов в вулканитах основного-кислого состава [Hentschel, 1964;Herritsch, 1990;Tsukimura et al, 1993;Mihajlović et al, 2004;Galuskin et al, 2011Galuskin et al, , 2012b. Метакарбонатные породы также входят в состав горелых комплексов в местах распространения древних грязевых вулканов, например, формация Хатрурим, Израиль-Иордания [Gross, 1977;Сокол и др., 2005, 2012Шарыгин и др., 2008;Sokol et al, 2010Sokol et al, , 2011Sharygin et al, 2013;Novikov et al, 2013;Galuskina et al, 2014].…”

Section: Introductionunclassified

Mayenite Supergroup Minerals in Burned Rocks From the Chelyabinsk Coal Basin

2015

GiG

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В метакарбонатной породе с флюорэллестадитом (бывший фрагмент окаменелого дерева анкеритового состава) из горелого террикона шахты Батуринская-Восточная-1-2 выявлены три минерала надгруппы майенита: эльтюбюит Ca 12 Fe 3+ 10 Si 4 O 32 Cl 6 , его фтористый аналог Ca 12 Fe 3+ 10 Si 4 O 30 F 10 и хлормайенит-вадалит Ca 12 (Al,Fe) 14 O 32 Cl 2-Ca 12 (Al,Fe) 10 Si 4 O 32 Cl 6. Две первые фазы присутствуют в реакционной оторочке агрегатов гематита, магнезиоферрита и Ca-ферритов («кальциогексаферрит» CaFe 12 O 19 , «грандиферрит» CaFe 4 O 7 , «дорритовая фаза» Ca 2 (Fe 3+ 5 Mn 3+ 0.5 Mg 0.5)(Si 0.5 Fe 3+ 5.5)O 20), реже в виде индивидуальных зерен в флюорэллестадит-куспидиновом (± ларнит ± русиновит Ca 10 (Si 2 O 7) 3 Cl 2) зернистом агрегате. Скопления зональных кристаллов хлормайенита-вадалита обнаружены во флюорэллестадит-куспидиновом зернистом агрегате, где отсутствуют агрегаты Ca-ферритов. Помимо вышеуказанных минералов в породе также выявлены гармунит CaFe 2 O 4 , хлорэллестадит, фторапатит, ангидрит, рондорфит Ca 8 Mg(SiO 4) 4 Cl 2 , фтористый аналог рондорфита Ca 8 Mg(SiO 4) 4 F 2 , «Mg-куспидин» Ca 3.5 (Mg,Fe) 0.5 (Si 2 O 7) F 2 , флюорит, бариоферрит BaFe 12 O 19 , чжаньпейшанит BaFCl и другие редкие фазы. Приводятся данные по химическому составу и рамановской спектроскопии минералов надгруппы майенита. Детально рассматривается генезис этой метакарбонатной породы: «окислительный обжиг» Fe-Ca-карбонатов с образованием гематита и извести; реакция между гематитом и известью с формированием различных Ca-ферритов; появление ларнита за счет реакции SiO 2 c известью или CaCO 3 ; реакционное воздействие горячих газов, обогащенных Cl, F и S, на ранее образовавшиеся ассоциации. Кристаллизация эльтюбюита и его F-аналога происходила на этапах воздействия газов. Предполагается, что максимальная температура при формировании породы могла достигать 1200-1230 °С.

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“…Figure 1a shows the crystal structure of Ca 12 ¹ for x = 0.0 and 3.4, respectively. As shown in Figure S2 in the Supporting Information, 13 Ca 12 -Al 14¹x Si x O 32 Cl x+2 shows no optical absorption band in the visible and near-ultraviolet (UV) regions; the fundamental absorption edge is located at greater than 6.5 eV, and the optical absorption from hydroxy ions captured in the cages is observed at 5.8 eV.…”

Section: ¹1mentioning

confidence: 99%

“…Ca 12 Al 14¹x Si x O 32 Cl 2+x , with x = 0.0 and 3.4, was synthesized by the reaction of CaCO 3 , γ-Al 2 O 3 , SiO 2 , and CaCl 2 . The mixtures were heated at 1150°C for 2 h and then quenched to room temperature (RT).…”

mentioning

confidence: 99%

Photochemistry of Nanocage Ca12Al14−xSixO32Cl2+x (x = 0.0 and 3.4) Crystals

2014

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crystals results in unique and exceptional electronic properties for main-group element oxides, such as metallic conductivity, superconductivity, and extremely low work functions (but chemical inertness). Electron-doped C12A7 is a candidate material for the electron injection layers of organic light-emitting devices. 47In addition, the electrons in its subnanometer-sized cages show chemical activities that can be used in organic synthesis as reducing agents and in ammonia synthesis as a catalyst. 8,9 The unique properties of C12A7 originate from its framework structure, which forms positively charged cages partly occupied by oxygen ions (O 2¹ ratio. These cages are expected to work as traps for electrons and active anionic species. In this study, we examined the photogenerated defect centers in Cl-derivatives.Ca 12 Al 14¹x Si x O 32 Cl 2+x , with x = 0.0 and 3.4, was synthesized by the reaction of CaCO 3 , γ-Al 2 O 3 , SiO 2 , and CaCl 2 . The mixtures were heated at 1150°C for 2 h and then quenched to room temperature (RT). To compensate for evaporation loss of CaCl 2 , 20% more CaCl 2 was added to the mixture of starting materials. 13Electron paramagnetic resonance (EPR) of the photogenerated centers was observed with a Bruker EMX spectrometer (Bruker Biospin, Germany), using a microwave (MW) frequency of ca. 9.7 GHz at ca. 77 K, with a liquid nitrogen (LN 2 ) dewar. A powder sample, sealed in a silica glass tube, was inserted in the LN 2 and irradiated by an ArF excimer laser (photon energy 6.42 eV, repetition rate 1 Hz, energy density 150 mJ cm ¹2 pulse ¹1) for 2 min. Spectral fitting of the EPR spectra was performed using EasySpin. 14 The diffuse reflectance spectra before and after photoirradiation were measured at RT using a Hitachi U4000 spectrometer (Hitachi High-Technologies Corp., Japan). For these measurements, the powder was packed in a cup and then irradiated by a Nd:YAG 4ω laser (4.66 eV, 10 Hz, 20 mJ cm ¹2 pulse ¹1) for 30 s. The observed spectra were converted to absorption spectra using the Kubelka Munk function. Figure 1a shows the crystal structure of (4+2x)+ and contains 12 cages of inner diameter ca. 0.4 nm. Therefore, 0.33 and 0.90 cages are occupied by Cl ¹ for x = 0.0 and 3.4, respectively. As shown in Figure S2 in the Supporting Information, 13 Ca 12 -Al 14¹x Si x O 32 Cl x+2 shows no optical absorption band in the visible and near-ultraviolet (UV) regions; the fundamental absorption edge is located at greater than 6.5 eV, and the optical absorption from hydroxy ions captured in the cages is observed at 5.8 eV.10 Figure 1b shows photographs of the sample pellets after X-ray irradiation for 10 min (Rh target, 50 kV, 50 mA). For x = 0.0, the area irradiated by X-rays changed from white to light brown, fading over several minutes. For x = 3.4, the irradiated area turned faint purple; the color faded over 30 min and the brown color remained. This coloration was also induced by UV laser irradiation. Figure 2a shows the EPR spectrum obtained from the x = 0.0 sample following UV irradiation at...

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Structure of wadalite Ca6Al5Si2O16Cl3

Cited by 22 publications

References 1 publication

Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure

Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure

Mayenite Supergroup Minerals in Burned Rocks From the Chelyabinsk Coal Basin

Photochemistry of Nanocage Ca12Al14−xSixO32Cl2+x (x = 0.0 and 3.4) Crystals

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Structure of wadalite Ca6Al5Si2O16Cl3

Cited by 22 publications

References 1 publication

Cs3LiZn2(WO4)4 and Rb3Li2Ga(MoO4)4: different filled derivatives of the cation-deficient Cs6Zn5(MoO4)8 structure

Cs3LiZn2(WO4)4 and Rb3Li2Ga(MoO4)4: different filled derivatives of the cation-deficient Cs6Zn5(MoO4)8 structure

Mayenite Supergroup Minerals in Burned Rocks From the Chelyabinsk Coal Basin

Photochemistry of Nanocage Ca12Al14−xSixO32Cl2+x (x = 0.0 and 3.4) Crystals

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Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure

Cs₃LiZn₂(WO₄)₄ and Rb₃Li₂Ga(MoO₄)₄: different filled derivatives of the cation-deficient Cs₆Zn₅(MoO₄)₈ structure