Research/Sitter/MAGNDATA / 0.831_BaCaFe4O7.mcif
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| Magnetic group | P n′ a′ 21 BNS 33.148 |
| Point group | m′m′2 |
| Parent space group | P b n 21 No. 33 |
| Spins | coplanar · net moment 14 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 6.3135 · b 11.0173 · c 10.3497 Å · α 90° · β 90° · γ 90° |
| Transition | 274 K (1 °C) |
| Measured at | 220 K |
| Magnetic ions | Fe |
| Largest moment component | 3.1 μB |
| Method | NSD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Ca1 | Ca | 0.011 | 0.6686 | 0.8915 | ||||
| Ba1 | Ba | 0.001 | 0.6696 | 0.5203 | ||||
| Fe1 | Fe | 0.001 | 0 | 0.9516 | 0 | −1 | 3.1 | 3.2573 |
| Fe2 | Fe | 0.003 | 0.1782 | 0.6997 | 0 | −1 | −2.2 | 2.4166 |
| Fe3 | Fe | 0.2935 | 0.0934 | 0.1941 | 0 | −1 | −2.2 | 2.4166 |
| Fe4 | Fe | 0.2471 | 0.9139 | 0.7007 | 0 | −1 | −2.2 | 2.4166 |
| O1 | O | 0.001 | 0.003 | 0.2665 | ||||
| O2 | O | 0.004 | 0.5007 | 0.2562 | ||||
| O3 | O | 0.7835 | 0.2633 | 0.8053 | ||||
| O4 | O | 0.718 | 0.7531 | 0.2244 | ||||
| O5 | O | 0.054 | 0.1565 | 0.514 | ||||
| O6 | O | 0.1958 | 0.1102 | 0.019 | ||||
| O7 | O | 0.2508 | 0.9402 | 0.516 |
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.
N. Qureshi et al. SciPost Phys. Core (2022) · doi:10.21468/SciPostPhysCore.5.1.007
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.831_BaCaFe4O7.mcif from MAGNDATA · entry page
sha256 of this copy: f8d65a2e6a4374e5844e533d00ae84335dc1c420fd28b890edb9fc11742ca477
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.831_BaCaFe4O7.mcif.