Correlated proton disorder in the crystal structure of the double hydroxide perovskite CuSn(OH)$_6$
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arXiv
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| Autores principales: | , , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866909553126277120 |
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| author | Kulbakov, Anton A. Häußler, Ellen Parui, Kaushick K. Chakkingal, Aswathi Mannathanath Pavlovskii, Nikolai S. Pomjakushin, Vladimir Yu. Cañadillas-Delgado, Laura Hansen, Thomas Peets, Darren C. Doert, Thomas Inosov, Dmytro S. |
| author_facet | Kulbakov, Anton A. Häußler, Ellen Parui, Kaushick K. Chakkingal, Aswathi Mannathanath Pavlovskii, Nikolai S. Pomjakushin, Vladimir Yu. Cañadillas-Delgado, Laura Hansen, Thomas Peets, Darren C. Doert, Thomas Inosov, Dmytro S. |
| contents | CuSn(OH)$_6$ is a quantum spin system from the family of magnetic double perovskite hydroxides, having a frustrated magnetic sublattice. It is also known as the natural mineral mushistonite, whose crystal structure has remained elusive for decades. Here we employ x-ray and neutron powder diffraction to solve the crystal structure of CuSn(OH)$_6$ and propose a structure model in the orthorhombic space group $Pnnn$ with correlated proton disorder. The occupation of the hydrogen sites in the structure is constrained by ``ice rules'' similar to those known for water ice. The resulting frustration of the hydrogen bonding network is likely to have a complex and interesting interplay with the strong magnetic frustration expected in the face-centred magnetic sublattice. Structural distortions, which are quite pronounced in Cu$^{2+}$ compounds due to the Jahn-Teller effect, partially alleviate both types of frustration. We also show that hydrostatic pressure tends to suppress proton disorder through a sequence of proton-ordering transitions, as some of the split hydrogen sites merge already at 1.75 GPa while others show a tendency toward possible merging at higher pressures. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_13359 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Correlated proton disorder in the crystal structure of the double hydroxide perovskite CuSn(OH)$_6$ Kulbakov, Anton A. Häußler, Ellen Parui, Kaushick K. Chakkingal, Aswathi Mannathanath Pavlovskii, Nikolai S. Pomjakushin, Vladimir Yu. Cañadillas-Delgado, Laura Hansen, Thomas Peets, Darren C. Doert, Thomas Inosov, Dmytro S. Materials Science CuSn(OH)$_6$ is a quantum spin system from the family of magnetic double perovskite hydroxides, having a frustrated magnetic sublattice. It is also known as the natural mineral mushistonite, whose crystal structure has remained elusive for decades. Here we employ x-ray and neutron powder diffraction to solve the crystal structure of CuSn(OH)$_6$ and propose a structure model in the orthorhombic space group $Pnnn$ with correlated proton disorder. The occupation of the hydrogen sites in the structure is constrained by ``ice rules'' similar to those known for water ice. The resulting frustration of the hydrogen bonding network is likely to have a complex and interesting interplay with the strong magnetic frustration expected in the face-centred magnetic sublattice. Structural distortions, which are quite pronounced in Cu$^{2+}$ compounds due to the Jahn-Teller effect, partially alleviate both types of frustration. We also show that hydrostatic pressure tends to suppress proton disorder through a sequence of proton-ordering transitions, as some of the split hydrogen sites merge already at 1.75 GPa while others show a tendency toward possible merging at higher pressures. |
| title | Correlated proton disorder in the crystal structure of the double hydroxide perovskite CuSn(OH)$_6$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.13359 |