Synthesis and Characterization of the New Manganese Hydroxide Chloride γ-Mn(OH)Cl
A new modification of Mn(OH)Cl was obtained under high-pressure/high-temperature conditions in a Walker-type multianvil device. The pale pink, hygroscopic compound crystallizes in the orthorhombic space group Pnma (no. 62) with a = 602.90(4), b = 350.98(2), c = 1077.69(7) pm, and V = 228 × 106 pm3....
| Veröffentlicht in: | European journal of inorganic chemistry. - 1998. - 2018(2018), 42 vom: 15. Nov., Seite 4630-4637 |
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| Weitere Verfasser: | , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2018
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| Zugriff auf das übergeordnete Werk: | European journal of inorganic chemistry |
| Schlagworte: | Journal Article High‐pressure synthesis Hydroxide halide Layered compounds Magnetic properties Manganese |
| Zusammenfassung: | A new modification of Mn(OH)Cl was obtained under high-pressure/high-temperature conditions in a Walker-type multianvil device. The pale pink, hygroscopic compound crystallizes in the orthorhombic space group Pnma (no. 62) with a = 602.90(4), b = 350.98(2), c = 1077.69(7) pm, and V = 228 × 106 pm3. The layered centrosymmetric structure consists of edge-sharing Mn(OH)3Cl3 octahedra arranged in sheets parallel to the (001) plane. The comparatively long H···Cl distance of 275 pm suggests only weak hydrogen bonds between neighboring layers. Spin-polarized scalar-relativistic DFT+U calculations predict a non-conducting magnetically ordered ground state with a band gap of at least 3.2 eV and an effective magnetic moment of 4.65 µB/f. u. The experimentally determined magnetic response of Mn(OH)Cl is paramagnetic in the range of 10-300 K. The estimated moment of 5.6 µB/f. u. indicates the high-spin d 5 configuration of manganese(II). We find hints for a long-range magnetic ordering below 10 K |
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| Beschreibung: | Date Revised 30.09.2020 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1434-1948 |
| DOI: | 10.1002/ejic.201800928 |