Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na)
Single crystals of alkali aluminoboracites, A4B4Al3O12Cl (A = Li, Na), were grown using the self-flux method, and their isotypic cubic crystal structures were determined by single-crystal X-ray diffraction. Na4B4Al3O12Cl is the first reported sodium boracite, and its lattice parameter [13.5904 (1) Å...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2024-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989024000501 |
| _version_ | 1797323994735575040 |
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| author | Sho Yoshino Hidechika Arima Masanao Ishijima Koichi Kajihara |
| author_facet | Sho Yoshino Hidechika Arima Masanao Ishijima Koichi Kajihara |
| author_sort | Sho Yoshino |
| collection | DOAJ |
| description | Single crystals of alkali aluminoboracites, A4B4Al3O12Cl (A = Li, Na), were grown using the self-flux method, and their isotypic cubic crystal structures were determined by single-crystal X-ray diffraction. Na4B4Al3O12Cl is the first reported sodium boracite, and its lattice parameter [13.5904 (1) Å] is the largest among the boracites consisting of a cation–oxygen framework reported so far. For both crystals, structure models refined in the cubic space group F\overline{4}3c, which assume that all cubic octant subcells in the unit cell are equivalent, converged with R1 factors of ∼0.03. However, the presence of weak hhl reflections with odd h and l values indicates that refinements in the space group F23, which presume a checkerboard-like ordering of two types of subcells with slightly different atomic positions, are more appropriate. |
| first_indexed | 2024-03-08T05:36:04Z |
| format | Article |
| id | doaj.art-96677623a0af410fbe40f595475380b4 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-08T05:36:04Z |
| publishDate | 2024-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-96677623a0af410fbe40f595475380b42024-02-05T17:27:26ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-02-0180216917310.1107/S2056989024000501wm5704Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na)Sho Yoshino0Hidechika Arima1Masanao Ishijima2Koichi Kajihara3Department of Applied Chemistry for Environment, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachoji, Tokyo 192-0397, JapanDepartment of Applied Chemistry for Environment, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachoji, Tokyo 192-0397, JapanDepartment of Applied Chemistry for Environment, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachoji, Tokyo 192-0397, JapanDepartment of Applied Chemistry for Environment, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachoji, Tokyo 192-0397, JapanSingle crystals of alkali aluminoboracites, A4B4Al3O12Cl (A = Li, Na), were grown using the self-flux method, and their isotypic cubic crystal structures were determined by single-crystal X-ray diffraction. Na4B4Al3O12Cl is the first reported sodium boracite, and its lattice parameter [13.5904 (1) Å] is the largest among the boracites consisting of a cation–oxygen framework reported so far. For both crystals, structure models refined in the cubic space group F\overline{4}3c, which assume that all cubic octant subcells in the unit cell are equivalent, converged with R1 factors of ∼0.03. However, the presence of weak hhl reflections with odd h and l values indicates that refinements in the space group F23, which presume a checkerboard-like ordering of two types of subcells with slightly different atomic positions, are more appropriate.http://scripts.iucr.org/cgi-bin/paper?S2056989024000501alkali aluminoboraciteself-flux methodweak structure orderingisotypismcrystal structure |
| spellingShingle | Sho Yoshino Hidechika Arima Masanao Ishijima Koichi Kajihara Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) Acta Crystallographica Section E: Crystallographic Communications alkali aluminoboracite self-flux method weak structure ordering isotypism crystal structure |
| title | Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) |
| title_full | Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) |
| title_fullStr | Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) |
| title_full_unstemmed | Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) |
| title_short | Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) |
| title_sort | crystal structures of the alkali aluminoboracites a4b4al3o12cl a li na |
| topic | alkali aluminoboracite self-flux method weak structure ordering isotypism crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989024000501 |
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