Research/Sitter/MAGNDATA / 1.878_Fe7(PO4)6.mcif
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| Magnetic group | PS 1 BNS 2.7 |
| Point group | 11′ |
| Parent space group | P 1 No. 2 |
| Spins | coplanar · net moment 0 μB per cell |
| Propagation | [1/2 0 1/2] 1k |
| Cell | a 9.13229 · b 9.30538 · c 15.92966 Å · α 74.7776° · β 42.95663° · γ 63.40064° |
| Transition | 47 K (−226 °C) |
| Measured at | 25 K |
| Magnetic ions | Fe |
| Largest moment component | 5.456 μB |
| Method | NPD (DMC, PSI) |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Fe1 | Fe | 0 | 0 | 0 | 1.422 | 0.633 | −2.295 | 1.7193 |
| Fe2 | Fe | 0.281 | 0.7125 | 0.7649 | 0.645 | 0.244 | −0.969 | 0.7186 |
| Fe3 | Fe | 0.3828 | 0.8859 | 0.535 | 4.716 | 0.544 | −5.02 | 3.7346 |
| Fe4 | Fe | 0.0443 | 0.4709 | 0.8392 | 5.456 | 0.356 | −5.353 | 4.0667 |
| P1 | P | 0.0965 | 0.1669 | 0.7487 | ||||
| P2 | P | 0.3988 | 0.6294 | 0.4165 | ||||
| P3 | P | 0.2285 | 0.2333 | 0.4613 | ||||
| O1 | O | 0.2753 | 0.7589 | 0.3822 | ||||
| O2 | O | 0.312 | 0.083 | 0.6136 | ||||
| O3 | O | 0.254 | 0.5349 | 0.5148 | ||||
| O4 | O | 0.4494 | 0.7145 | 0.4583 | ||||
| O5 | O | 0.4575 | 0.2272 | 0.4067 | ||||
| O6 | O | 0.0665 | 0.3462 | 0.7418 | ||||
| O7 | O | 0.1199 | 0.0797 | 0.8346 | ||||
| O8 | O | 0.1202 | 0.8391 | 0.706 | ||||
| O9 | O | −0.0192 | 0.6575 | 0.4148 | ||||
| O10 | O | 0.3664 | 0.4927 | 0.6972 | ||||
| O11 | O | 0.2257 | 0.0603 | 0.488 | ||||
| O12 | O | 0.211 | 0.2946 | 0.8709 |
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. Dönni et al. Inorg. Chem. (2026) · doi:10.1021/acs.inorgchem.6c00534
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.878_Fe7(PO4)6.mcif from MAGNDATA · entry page
sha256 of this copy: ee85fe93017eb97fe8cac30086bbe11e39c074a6c81256159e8e3c9b00f245ef
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.878_Fe7(PO4)6.mcif.