Research/Sitter/MAGNDATA / 1.0.30_LaCa2Fe3O9.mcif
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| Magnetic group | P m n 21 BNS 31.123 |
| Parent space group | P n m a No. 62 |
| Spins | coplanar · net moment 0 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 22.983 · b 16.263 · c 5.419 Å · α 90° · β 90° · γ 90° |
| Transition | 230 K (−43 °C) |
| Measured at | 210 K |
| Magnetic ions | Fe |
| Largest moment component | 2.1479 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Fe1_1 | Fe | 0.75 | 0.75 | 0 | ||||
| Fe1_2 | Fe | 0.75 | 0.4167 | 0 | ||||
| Fe1_3 | Fe | 0.75 | 0.0833 | 0 | ||||
| Fe2_1 | Fe | −0.0871 | 0.7487 | −0.0115 | 0 | −2.1479 | 0 | 2.1479 |
| Fe2_2 | Fe | −0.0871 | 0.4153 | −0.0115 | 0 | 1.0739 | 1.4752 | 1.8247 |
| Fe2_3 | Fe | −0.0871 | 0.082 | −0.0115 | 0 | 1.0739 | −1.4752 | 1.8247 |
| Fe2_4 | Fe | 0.0871 | −0.0847 | 0.5115 | 0 | −1.074 | −1.4752 | 1.8247 |
| Fe2_5 | Fe | 0.0871 | 0.582 | 0.5115 | 0 | −1.0739 | 1.4752 | 1.8247 |
| Fe2_6 | Fe | 0.0871 | 0.2487 | 0.5115 | 0 | 2.1479 | −0 | 2.1479 |
| La1_1 | La | 0 | 0.6 | 0.018 | ||||
| La1_2 | La | 0 | 0.9333 | 0.018 | ||||
| La1_3 | La | 0 | 0.7667 | 0.482 | ||||
| La1_4 | La | 0 | 0.4333 | 0.482 | ||||
| La1_5 | La | 0 | 0.2667 | 0.018 | ||||
| La1_6 | La | 0 | 0.1 | 0.482 | ||||
| Ca1_1 | Ca | 0 | 0.6 | 0.018 | ||||
| Ca1_2 | Ca | 0 | 0.9333 | 0.018 | ||||
| Ca1_3 | Ca | 0 | 0.7667 | 0.482 | ||||
| Ca1_4 | Ca | 0 | 0.4333 | 0.482 | ||||
| Ca1_5 | Ca | 0 | 0.2667 | 0.018 | ||||
| Ca1_6 | Ca | 0 | 0.1 | 0.482 | ||||
| La2_1 | La | 0.832 | 0.5937 | 0.993 | ||||
| La2_2 | La | 0.668 | 0.073 | 0.493 | ||||
| La2_3 | La | 0.332 | 0.2397 | 0.007 | ||||
| La2_4 | La | 0.168 | 0.427 | 0.507 | ||||
| La2_5 | La | 0.832 | 0.2603 | 0.993 | ||||
| La2_6 | La | 0.332 | 0.9063 | 0.007 | ||||
| Ca2_1 | Ca | 0.832 | 0.5937 | 0.993 | ||||
| Ca2_2 | Ca | 0.668 | 0.073 | 0.493 | ||||
| Ca2_3 | Ca | 0.332 | 0.2397 | 0.007 | ||||
| Ca2_4 | Ca | 0.168 | 0.427 | 0.507 | ||||
| Ca2_5 | Ca | 0.832 | 0.2603 | 0.993 | ||||
| Ca2_6 | Ca | 0.332 | 0.9063 | 0.007 | ||||
| O1_1 | O | 0.831 | 0.7437 | 0.9299 | ||||
| O1_2 | O | 0.669 | 0.923 | 0.4299 | ||||
| O1_3 | O | 0.331 | 0.0896 | 0.0701 | ||||
| O1_4 | O | 0.169 | 0.577 | 0.5701 | ||||
| O1_5 | O | 0.831 | 0.4104 | 0.9299 | ||||
| O1_6 | O | 0.331 | 0.7563 | 0.0701 | ||||
| O2_1 | O | 0 | 0.7502 | 0.0614 | ||||
| O2_2 | O | 0 | 0.0835 | 0.0614 | ||||
| O2_3 | O | 0 | 0.9169 | 0.4386 | ||||
| O2_4 | O | 0 | 0.5835 | 0.4386 | ||||
| O2_5 | O | 0 | 0.4169 | 0.0614 | ||||
| O2_6 | O | 0 | 0.2502 | 0.4386 | ||||
| O3_1 | O | 0.7632 | 0.8437 | 0.2114 | ||||
| O3_2 | O | 0.7368 | 0.823 | 0.7114 | ||||
| O3_3 | O | 0.2632 | 0.9897 | 0.7886 | ||||
| O3_4 | O | 0.2368 | 0.677 | 0.2886 | ||||
| O3_5 | O | 0.7632 | 0.5103 | 0.2114 | ||||
| O3_6 | O | 0.2632 | 0.6563 | 0.7886 | ||||
| O4_1 | O | 0.9077 | 0.8398 | 0.2295 | ||||
| O4_2 | O | 0.5923 | 0.8268 | 0.7295 | ||||
| O4_3 | O | 0.4077 | 0.9935 | 0.7705 | ||||
| O4_4 | O | 0.0923 | 0.6732 | 0.2705 | ||||
| O4_5 | O | 0.9077 | 0.5065 | 0.2295 | ||||
| O4_6 | O | 0.4077 | 0.6602 | 0.7705 | ||||
| O5_1 | O | 0.9281 | 0.8243 | 0.7188 | ||||
| O5_2 | O | 0.5719 | 0.8424 | 0.2188 | ||||
| O5_3 | O | 0.4281 | 0.009 | 0.2812 | ||||
| O5_4 | O | 0.0719 | 0.6576 | 0.7812 | ||||
| O5_5 | O | 0.9281 | 0.491 | 0.7188 | ||||
| O5_6 | O | 0.4281 | 0.6757 | 0.2812 |
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. PHYSICAL REVIEW B (2018) · doi:10.1103/PhysRevB.97.024421
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.0.30_LaCa2Fe3O9.mcif from MAGNDATA · entry page
sha256 of this copy: 6c744de717918bfda119fff84e2627f09eee50750cb81511553bb7e06194dd08
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.30_LaCa2Fe3O9.mcif.