Research/Sitter/MAGNDATA / 0.1116_Ba2CrReO6.mcif
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| Magnetic group | P 63′/m′ m′ c BNS 194.268 |
| Point group | 6′/m′mm′ |
| Parent space group | P 63/m m c No. 194 |
| Spins | collinear · 4 nodal planes · net moment 0 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 5.7072 · b 5.7072 · c 13.9364 Å · α 90° · β 90° · γ 120° |
| Transition | 370 K (97 °C) |
| Measured at | 300 K |
| Magnetic ions | Cr, Re |
| Largest moment component | 1.87 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Ba1 | Ba | 0 | 0 | 0.25 | ||||
| Ba2 | Ba | 0.3333 | 0.6667 | 0.4045 | ||||
| Re1 | Re | 0 | 0 | 0 | 0 | 0 | −0.83 | 0.83 |
| Cr1 | Cr | 0 | 0 | 0 | 0 | 0 | −1.87 | 1.87 |
| Cr2 | Cr | 0.3333 | 0.6667 | 0.8399 | 0 | 0 | 1.87 | 1.87 |
| Re2 | Re | 0.3333 | 0.6667 | 0.8399 | 0 | 0 | 0.83 | 0.83 |
| O1 | O | 0.5138 | 0.0276 | 0.25 | ||||
| O2 | O | 0.8356 | 0.6712 | 0.4211 |
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.
Cierra J. Foster et al. Inorganic Chemistry (2025) · doi:10.1021/acs.inorgchem.5c01630
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.1116_Ba2CrReO6.mcif from MAGNDATA · entry page
sha256 of this copy: 69b867881d97bff17bde9634f6be6841e862fa77ab31eda87791aaf25753e9b6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1116_Ba2CrReO6.mcif.