Crystallography Open Database (COD)

Gražulis, S.; Merkys, Andrius; Vaitkus, Antanas

doi:10.1007/978-3-319-42913-7_66-1

Cited by 8 publications

(6 citation statements)

References 41 publications

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“…The peaks in the X‐ray diffraction patterns were identified using the PDWin 4.0 software and the Crystallographica Search‐Match package involving the ICDD PDF‐2 powder database 34 . Qualitative and semiquantitative phase analyses were also carried out using the Rigaku SmartLab Studio II program (Rigaku Corporation) and Crystallography Open Database, 35 a database containing the crystal structures of organic, inorganic, and metal–organic compounds and minerals 36 …”

Section: Methodsmentioning

confidence: 99%

“…34 Qualitative and semiquantitative phase analyses were also carried out using the Rigaku SmartLab Studio II program (Rigaku Corporation) and Crystallography Open Database, 35 a database containing the crystal structures of organic, inorganic, and metal-organic compounds and minerals. 36 The results obtained by the X-ray powder diffraction technique are presented in Figure S1 (supporting information). Samples N 1, 7, and 8 were X-ray amorphous, with X-ray halos in the range 2θ of 15-25 in the diffraction spectra and could also contain trace amounts of quartz.…”

Section: Sample Synthesis and Characterizationmentioning

confidence: 99%

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High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling

Stolyarova

Vorozhtcov

Shemchuk

et al. 2022

Rapid Comm Mass Spectrometry

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Rationale The TiO2–Al2O3–SiO2 system is the base for various glass–ceramic materials, which have great practical value for a large number of modern technologies. Many TiO2–Al2O3–SiO2 materials are synthesized or applied at high temperatures, which justifies the relevance of the present study. Methods The samples in the TiO2–Al2O3–SiO2 system were synthesized using the method of induction melting in a cold crucible. The thermodynamic properties of the TiO2–Al2O3–SiO2 system were studied using the Knudsen effusion mass spectrometric method. The derived thermodynamic functions were optimized within the generalized lattice theory of associated solutions (GLTAS) approach and compared with the results of calculation using the semiempirical Kohler, Muggianu, Toop, Redlich–Kister, and Wilson methods based on the corresponding data in the binary systems. Results The SiO2 selective vaporization from the samples under study was shown at temperatures above 1940 K. The thermodynamic properties in the TiO2–Al2O3–SiO2 system, including the TiO2–SiO2 system, were obtained in the temperature range 1965–2012 K and were optimized using GLTAS to obtain the consistent concentration dependences of the component activities and excess Gibbs energies. Conclusions Positive deviations from the ideal behavior were observed in the TiO2–Al2O3–SiO2 system at high temperatures. Comparison of these values with the results of the modeling based on the GLTAS approach allowed the recommendations regarding the optimal semiempirical methods for the excess Gibbs energy calculation in different concentration ranges to be made.

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Section: Methodsmentioning

confidence: 99%

Section: Sample Synthesis and Characterizationmentioning

confidence: 99%

High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling

Stolyarova

Vorozhtcov

Shemchuk

et al. 2022

Rapid Comm Mass Spectrometry

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“…Possible crystalline phases were identified using PDF-2 (Powder Diffraction File-2) [32] and Crystallography Open Database [33] powder databases.…”

Section: Methodsmentioning

confidence: 99%

Thermal stability of the waylandite-structured nanocrystalline BiAl3(PO4)2(OH)6

Elovikov¹,

Proskurina²,

Tomkovich³

et al. 2022

Nanosystems: Phys. Chem. Math.

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A nanocrystalline powder of the waylandite-structured bismuth hydroaluminophosphate was obtained under hydrothermal conditions at 200 • C, 7 MPa and pH 7, and characterized by X-ray diffractometry, scanning electron microscopy (SEM), and energy dispersive microanalysis (EDAX). The simultaneous thermal analysis and high-temperature X-ray diffractometry have shown that the crystal-chemical formula of this compound can be represented as BiAl 3 (PO 4 ) 2 O(OH) 4 •(H 2 O). This compound retains its structure and crystallite size (∼65 nm) up to about 500 • C. It has been determined that the decomposition of this compound in the 540-800 • C range results in the formation of Bi 2 O 3 , Bi 2 Al 4 O 9 and AlPO 4 phases. At temperatures above 800 • C, a complete thermal decomposition of Bi 2 Al 4 O 9 and the formation of crystalline α-Al 2 O 3 occur in this system, while Bi 2 O 3 keeps evaporating during the isothermal exposure. KEYWORDS nanocrystals, waylandite-structured, BiAl 3 (PO 4 ) 2 O(OH) 4 •(H 2 O), thermal stability, hydrothermal synthesis, nature-like technologies. ACKNOWLEDGEMENTS X-ray diffraction studies and elemental analyses of samples were performed employing the equipment of the Engineering Center of the

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“…The raw XRD patterns were analyzed using HighScore Plus software (Panalytical, 2012) in conjunction with thin section analysis. Crystalline mineral phases were identified by comparing raw XRD patterns to reference patterns from the Crystallography Open Database (COD) (Gražulis et al., 2020) and quantified using Rietveld refinement. This method minimizes the difference between the observed XRD pattern and that calculated from the crystal models of individual phases using a nonlinear least‐square fit.…”

Section: Methodsmentioning

confidence: 99%

The Role of Tuffs in Sealing Volcanic Conduits

Kanakiya

Adam

Rowe

et al. 2021

Geophysical Research Letters

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Hydrothermal alteration by2 SO E -rich fluids governs the physicochemical properties of stratovolcanoes worldwide (Mayer et al., 2016;Zimbelman et al., 2005). As these fluids alter the conduit rocks, inevitable changes in rock porosity and permeability can limit outgassing and promote explosive volcanic behavior. This was observed at Poás volcano (Costa Rica), where the formation of a pressurized hydrothermal seal by secondary mineral precipitation and volatile accumulation limited 2 SO E -emissions for two years and triggered the 2017 phreatomagmatic eruption (de Moor et al., 2019). Similar hydrothermal sealing driven by acid-sulphate alteration also played a role in triggering phreatic and phreatomagmatic eruptions at Soufrière Hills (Montserrat) (Edmonds et al., 2003), and Ontake (Japan) (Stix & de Moor, 2018). At Whakaari-White Island volcano (New Zealand), a partially sealed hydrothermal system is implied to have played a role in the recent 2019, and past eruptions (Burton et al., 2021;Christenson et al., 2017). However, mineralogical and microimaging evidence of such sealing and its evolution for different lithologies within the conduit is lacking. Moreover, the effect of such hydrothermal processes on the fluid flow and elastic properties of conduit-filling rocks remains unconstrained, despite being of paramount importance for accurately inverting geophysical data to understand volcano pressurization.The development of an effective seal requires conduit rocks with low porosity and low permeability that limit outgassing and favor fluid accumulation and pressure build-up (Stix & de Moor, 2018). So far, experimental studies on the effects of alteration on porosity and permeability of volcanic rocks have been mainly based on surface-collected rocks and show conflicting observations. For example, pore and fracture filling secondary minerals in lavas (

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Crystallography Open Database (COD)

Cited by 8 publications

References 41 publications

High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling

High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling

Thermal stability of the waylandite-structured nanocrystalline BiAl3(PO4)2(OH)6

The Role of Tuffs in Sealing Volcanic Conduits

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Crystallography Open Database (COD)

Cited by 8 publications

References 41 publications

High‐temperature mass spectrometric study of thermodynamic properties in the TiO2–Al2O3–SiO2 system and modeling

High‐temperature mass spectrometric study of thermodynamic properties in the TiO2–Al2O3–SiO2 system and modeling

Thermal stability of the waylandite-structured nanocrystalline BiAl3(PO4)2(OH)6

The Role of Tuffs in Sealing Volcanic Conduits

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High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling

High‐temperature mass spectrometric study of thermodynamic properties in the TiO₂–Al₂O₃–SiO₂ system and modeling