Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement
The grossular garnet from rodingite-type rock from the Suva Česma area in western Serbia is characterized with its weak anisotropic nature. Because its anisotropy could indicate a non-cubic lower symmetry, SEM-EDS and Rietveld powder refinement methods were used. The SEM-EDS results have shown that...
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MDPI AG
2023-05-01
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| Online Access: | https://www.mdpi.com/2674-0516/2/2/23 |
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| author | Pavle Tančić Slađana Dušanić Suzana Erić |
| author_facet | Pavle Tančić Slađana Dušanić Suzana Erić |
| author_sort | Pavle Tančić |
| collection | DOAJ |
| description | The grossular garnet from rodingite-type rock from the Suva Česma area in western Serbia is characterized with its weak anisotropic nature. Because its anisotropy could indicate a non-cubic lower symmetry, SEM-EDS and Rietveld powder refinement methods were used. The SEM-EDS results have shown that the garnet has a (Ca<sub>3.00</sub>Mn<sub>0.01</sub>)<sub>3.01</sub>(Al<sub>1.82</sub>Fe<sub>0.15</sub>Ti<sub>0.02</sub>)<sub>1.99</sub>(Si<sub>2.97</sub>Al<sub>0.03</sub>)<sub>3.00</sub>O<sub>12</sub> chemical composition (i.e., Grs<sub>91</sub>Adr<sub>08</sub>), which can be more specifically explained as ferric iron containing grossular. The next step further used Rietveld powder refinements of the various crystal structures in the <i>Ia</i>‾3<i>d</i>, <i>R</i>‾3<i>c</i>, <i>R</i>‾3, <i>I</i>4<sub>1</sub>/<i>a</i>, <i>Fddd</i>, <i>C</i>2<i>/c</i>, and <i>I</i>‾1 space groups as well as a single mixture, which was followed by a comparative analysis of the <i>R</i>-values, site occupancy factors, and bond lengths and angles. The synthesis of these results showed both that the studied grossular garnet is not cubic and that it crystallized in the disordered <i>Fddd</i> space group with the final <i>R</i><sub>B</sub> = 5.29% and <i>R</i><sub>F</sub> = 1.75%. It was presumed that the grossular formed at temperatures between 150 and ~600 °C. |
| first_indexed | 2024-03-11T01:59:40Z |
| format | Article |
| id | doaj.art-2833df4a08454042b1ac8e1eb67706e5 |
| institution | Directory Open Access Journal |
| issn | 2674-0516 |
| language | English |
| last_indexed | 2024-03-11T01:59:40Z |
| publishDate | 2023-05-01 |
| publisher | MDPI AG |
| record_format | Article |
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| spelling | doaj.art-2833df4a08454042b1ac8e1eb67706e52023-11-18T12:14:44ZengMDPI AGPowders2674-05162023-05-012238740210.3390/powders2020023Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld RefinementPavle Tančić0Slađana Dušanić1Suzana Erić2Department for Catalysis and Chemical Engineering, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoševa 12, 11000 Belgrade, SerbiaGeological Survey of Serbia, Rovinjska 12, 11000 Belgrade, SerbiaFaculty of Mining and Geology, University of Belgrade, Djušina 7, 11000 Belgrade, SerbiaThe grossular garnet from rodingite-type rock from the Suva Česma area in western Serbia is characterized with its weak anisotropic nature. Because its anisotropy could indicate a non-cubic lower symmetry, SEM-EDS and Rietveld powder refinement methods were used. The SEM-EDS results have shown that the garnet has a (Ca<sub>3.00</sub>Mn<sub>0.01</sub>)<sub>3.01</sub>(Al<sub>1.82</sub>Fe<sub>0.15</sub>Ti<sub>0.02</sub>)<sub>1.99</sub>(Si<sub>2.97</sub>Al<sub>0.03</sub>)<sub>3.00</sub>O<sub>12</sub> chemical composition (i.e., Grs<sub>91</sub>Adr<sub>08</sub>), which can be more specifically explained as ferric iron containing grossular. The next step further used Rietveld powder refinements of the various crystal structures in the <i>Ia</i>‾3<i>d</i>, <i>R</i>‾3<i>c</i>, <i>R</i>‾3, <i>I</i>4<sub>1</sub>/<i>a</i>, <i>Fddd</i>, <i>C</i>2<i>/c</i>, and <i>I</i>‾1 space groups as well as a single mixture, which was followed by a comparative analysis of the <i>R</i>-values, site occupancy factors, and bond lengths and angles. The synthesis of these results showed both that the studied grossular garnet is not cubic and that it crystallized in the disordered <i>Fddd</i> space group with the final <i>R</i><sub>B</sub> = 5.29% and <i>R</i><sub>F</sub> = 1.75%. It was presumed that the grossular formed at temperatures between 150 and ~600 °C.https://www.mdpi.com/2674-0516/2/2/23grossular garnetrodingiteSuva Česma (western Serbia)Rietveld powder refinement methodorthorhombic crystal structuredisordered <i>Fddd</i> space group |
| spellingShingle | Pavle Tančić Slađana Dušanić Suzana Erić Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement Powders grossular garnet rodingite Suva Česma (western Serbia) Rietveld powder refinement method orthorhombic crystal structure disordered <i>Fddd</i> space group |
| title | Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement |
| title_full | Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement |
| title_fullStr | Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement |
| title_full_unstemmed | Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement |
| title_short | Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement |
| title_sort | orthorhombic crystal structure of grossular garnet suva cesma western serbia evidence from the rietveld refinement |
| topic | grossular garnet rodingite Suva Česma (western Serbia) Rietveld powder refinement method orthorhombic crystal structure disordered <i>Fddd</i> space group |
| url | https://www.mdpi.com/2674-0516/2/2/23 |
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