Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system
<p>The CaSiO<span class="inline-formula"><sub>3</sub></span> system exhibits notable structural complexity, featuring different polymorphs and polytypes across various pressure (<span class="inline-formula"><i>P</i></span>) an...
Saved in:
| Main Authors: | , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Copernicus Publications
2025-01-01
|
| Series: | European Journal of Mineralogy |
| Online Access: | https://ejm.copernicus.org/articles/37/13/2025/ejm-37-13-2025.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841555002528628736 |
|---|---|
| author | B. Chrappan Soldavini M. Merlini M. Gemmi P. Parlanti P. Fumagalli S. Milani B. Joseph G. Bais M. Polentarutti A. Kurnosov S. Poli |
| author_facet | B. Chrappan Soldavini M. Merlini M. Gemmi P. Parlanti P. Fumagalli S. Milani B. Joseph G. Bais M. Polentarutti A. Kurnosov S. Poli |
| author_sort | B. Chrappan Soldavini |
| collection | DOAJ |
| description | <p>The CaSiO<span class="inline-formula"><sub>3</sub></span> system exhibits notable structural complexity, featuring different polymorphs and polytypes across various pressure (<span class="inline-formula"><i>P</i></span>) and temperature (<span class="inline-formula"><i>T</i></span>) conditions compatible with Earth's environments. Among these, the pseudowollastonite and breyite structures are characterized by the presence of threefold tetrahedral rings. In this study, we conducted multianvil syntheses in the pressure and temperature range 4–5 GPa and 600–800 °C to stabilize crystals of a new high-pressure polymorph reported by Chatterjee et al. (1984) and obtain structural information. The structure was solved by combining 3D electron diffraction (ED) and synchrotron single-crystal X-ray diffraction (SC-XRD). The new high-pressure polymorph, here referred to as parabreyite, features threefold tetrahedral rings, with a different configuration compared to breyite. Parabreyite is triclinic, <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M5" display="inline" overflow="scroll" dspmath="mathml"><mrow><mi>P</mi><mover accent="true"><mn mathvariant="normal">1</mn><mo mathvariant="normal">‾</mo></mover></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="16pt" height="13pt" class="svg-formula" dspmath="mathimg" md5hash="765562c36c1bae1ee39e2fa60bf3bfd6"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="ejm-37-13-2025-ie00001.svg" width="16pt" height="13pt" src="ejm-37-13-2025-ie00001.png"/></svg:svg></span></span>, with unit cell parameters <span class="inline-formula"><i>a</i>=</span> 8.1911(10) Å, <span class="inline-formula"><i>b</i>=</span> 9.3441(9) Å, <span class="inline-formula"><i>c</i>=</span> 10.4604(10) Å, <span class="inline-formula"><i>α</i>=</span> 73.901(8)°, <span class="inline-formula"><i>β</i>=</span> 89.814(9)° and <span class="inline-formula"><i>γ</i>=</span> 77.513(9)°. The bulk modulus, <span class="inline-formula"><i>K</i><sub>0</sub>=</span> 90.7(5) GPa, was determined by an in situ SC-XRD experiment using a diamond anvil cell (DAC) in the pressure interval 0–10 GPa. Thermal expansion was also determined by low- and high-temperature SC-XRD measurements and resulted in a larger value compared to breyite. Additionally, we performed in situ synchrotron SC-XRD on synthetic pseudowollastonite in the pressure interval 0–14 GPa and did not observe any structural phase transition in this ring-type polymorph. We also report the differences between the Raman spectra of parabreyite and breyite to help with the in situ identification of these polymorphs. The threefold ring topology of parabreyite suggests a new configuration for high-density tetrahedra structures, with significant implications for the prediction of high-pressure sp<span class="inline-formula"><sup>3</sup></span> carbonates.</p> |
| format | Article |
| id | doaj-art-449118b426c645dab8ac1024a3cc9a54 |
| institution | Kabale University |
| issn | 0935-1221 1617-4011 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Copernicus Publications |
| record_format | Article |
| series | European Journal of Mineralogy |
| spelling | doaj-art-449118b426c645dab8ac1024a3cc9a542025-01-08T06:42:24ZengCopernicus PublicationsEuropean Journal of Mineralogy0935-12211617-40112025-01-0137132410.5194/ejm-37-13-2025Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> systemB. Chrappan Soldavini0M. Merlini1M. Gemmi2P. Parlanti3P. Fumagalli4S. Milani5B. Joseph6G. Bais7M. Polentarutti8A. Kurnosov9S. Poli10Dipartimento di Scienze della Terra “A. Desio”, Università degli Studi di Milano, Via S. Botticelli 23, 20133 Milan, ItalyDipartimento di Scienze della Terra “A. Desio”, Università degli Studi di Milano, Via S. Botticelli 23, 20133 Milan, ItalyElectron Crystallography, Istituto Italiano di Tecnologia, viale Rinaldo Piaggio 34, 56025 Pontedera, ItalyElectron Crystallography, Istituto Italiano di Tecnologia, viale Rinaldo Piaggio 34, 56025 Pontedera, ItalyDipartimento di Scienze della Terra “A. Desio”, Università degli Studi di Milano, Via S. Botticelli 23, 20133 Milan, ItalyDipartimento di Scienze della Terra “A. Desio”, Università degli Studi di Milano, Via S. Botticelli 23, 20133 Milan, ItalyElettra Sincrotrone Trieste, Strada Statale 14 - km 163,5, AREA Science Park, 34149 Basovizza, Trieste, ItalyElettra Sincrotrone Trieste, Strada Statale 14 - km 163,5, AREA Science Park, 34149 Basovizza, Trieste, ItalyElettra Sincrotrone Trieste, Strada Statale 14 - km 163,5, AREA Science Park, 34149 Basovizza, Trieste, ItalyBayerisches Geoinstitut, University of Bayreuth, 95440 Bayreuth, GermanyDipartimento di Scienze della Terra “A. Desio”, Università degli Studi di Milano, Via S. Botticelli 23, 20133 Milan, Italy<p>The CaSiO<span class="inline-formula"><sub>3</sub></span> system exhibits notable structural complexity, featuring different polymorphs and polytypes across various pressure (<span class="inline-formula"><i>P</i></span>) and temperature (<span class="inline-formula"><i>T</i></span>) conditions compatible with Earth's environments. Among these, the pseudowollastonite and breyite structures are characterized by the presence of threefold tetrahedral rings. In this study, we conducted multianvil syntheses in the pressure and temperature range 4–5 GPa and 600–800 °C to stabilize crystals of a new high-pressure polymorph reported by Chatterjee et al. (1984) and obtain structural information. The structure was solved by combining 3D electron diffraction (ED) and synchrotron single-crystal X-ray diffraction (SC-XRD). The new high-pressure polymorph, here referred to as parabreyite, features threefold tetrahedral rings, with a different configuration compared to breyite. Parabreyite is triclinic, <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M5" display="inline" overflow="scroll" dspmath="mathml"><mrow><mi>P</mi><mover accent="true"><mn mathvariant="normal">1</mn><mo mathvariant="normal">‾</mo></mover></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="16pt" height="13pt" class="svg-formula" dspmath="mathimg" md5hash="765562c36c1bae1ee39e2fa60bf3bfd6"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="ejm-37-13-2025-ie00001.svg" width="16pt" height="13pt" src="ejm-37-13-2025-ie00001.png"/></svg:svg></span></span>, with unit cell parameters <span class="inline-formula"><i>a</i>=</span> 8.1911(10) Å, <span class="inline-formula"><i>b</i>=</span> 9.3441(9) Å, <span class="inline-formula"><i>c</i>=</span> 10.4604(10) Å, <span class="inline-formula"><i>α</i>=</span> 73.901(8)°, <span class="inline-formula"><i>β</i>=</span> 89.814(9)° and <span class="inline-formula"><i>γ</i>=</span> 77.513(9)°. The bulk modulus, <span class="inline-formula"><i>K</i><sub>0</sub>=</span> 90.7(5) GPa, was determined by an in situ SC-XRD experiment using a diamond anvil cell (DAC) in the pressure interval 0–10 GPa. Thermal expansion was also determined by low- and high-temperature SC-XRD measurements and resulted in a larger value compared to breyite. Additionally, we performed in situ synchrotron SC-XRD on synthetic pseudowollastonite in the pressure interval 0–14 GPa and did not observe any structural phase transition in this ring-type polymorph. We also report the differences between the Raman spectra of parabreyite and breyite to help with the in situ identification of these polymorphs. The threefold ring topology of parabreyite suggests a new configuration for high-density tetrahedra structures, with significant implications for the prediction of high-pressure sp<span class="inline-formula"><sup>3</sup></span> carbonates.</p>https://ejm.copernicus.org/articles/37/13/2025/ejm-37-13-2025.pdf |
| spellingShingle | B. Chrappan Soldavini M. Merlini M. Gemmi P. Parlanti P. Fumagalli S. Milani B. Joseph G. Bais M. Polentarutti A. Kurnosov S. Poli Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system European Journal of Mineralogy |
| title | Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system |
| title_full | Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system |
| title_fullStr | Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system |
| title_full_unstemmed | Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system |
| title_short | Crystal structure and elastic properties of parabreyite: a new high-pressure ring silicate in the CaSiO<sub>3</sub> system |
| title_sort | crystal structure and elastic properties of parabreyite a new high pressure ring silicate in the casio sub 3 sub system |
| url | https://ejm.copernicus.org/articles/37/13/2025/ejm-37-13-2025.pdf |
| work_keys_str_mv | AT bchrappansoldavini crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT mmerlini crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT mgemmi crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT pparlanti crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT pfumagalli crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT smilani crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT bjoseph crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT gbais crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT mpolentarutti crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT akurnosov crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem AT spoli crystalstructureandelasticpropertiesofparabreyiteanewhighpressureringsilicateinthecasiosub3subsystem |