Research/Sitter/MAGNDATA / 0.550_Mn3ReO6.mcif
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| Magnetic group | PS 1 BNS 2.7 |
| Parent space group | P 21/c No. 14 |
| Spins | coplanar · net moment 0 μB per cell |
| Propagation | [1/2 1/2 0] 1k |
| Cell | a 10.5416 · b 10.7738 · c 7.71 Å · α 90° · β 90.097° · γ 90° |
| Transition | 109 K (−164 °C) |
| Measured at | 100 K |
| Magnetic ions | Mn, Re |
| Largest moment component | 1.34 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Mn1_1 | Mn | 0.2505 | 0.2258 | 0.2429 | −0.78 | 0.78 | 0 | 1.1031 |
| Mn1_2 | Mn | 0.9994 | 0.4758 | 0.2571 | −0.78 | 0.78 | 0 | 1.1031 |
| Mn2_1 | Mn | 0.25 | 0 | 0 | 1.34 | 1.34 | 0 | 1.895 |
| Mn2_2 | Mn | 0 | 0.25 | 0.5 | −1.34 | −1.34 | 0 | 1.895 |
| Re1_1 | Re | 0.25 | 0 | 0.5 | ||||
| Re1_2 | Re | 0 | 0.25 | 0 | ||||
| O1_1 | O | 0.0606 | 0.2853 | 0.2366 | ||||
| O1_2 | O | 0.1894 | 0.5353 | 0.2634 | ||||
| O2_1 | O | 0.3453 | 0.3362 | 0.0577 | ||||
| O2_2 | O | 0.9047 | 0.5863 | 0.4423 | ||||
| O3_1 | O | 0.4231 | 0.101 | 0.0713 | ||||
| O3_2 | O | 0.8269 | 0.351 | 0.4287 |
Moment components are along the crystal axes a, b, c (μB), as magCIF writes them. Symmetry generates the rest of the cell from these sites.
A. M. Arevalo-Lopez et al. Chem. Commun. (2016) · doi:10.1039/c6cc01290f
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.550_Mn3ReO6.mcif from MAGNDATA · entry page
sha256 of this copy: b2a57d7cb44b8e8890f78d64e540b91579b022cf8086856d298b93e52ff9760c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.550_Mn3ReO6.mcif.