FeCl5D2O(ND4)2
MAGNDATA entry 0.179 · source
noncollinear ferrimagnet
Opposite moments of different size leave a net magnetisation.
Research/Sitter/MAGNDATA / 0.179_FeCl5D2O(ND4)2.mcif
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| Magnetic group | P21′ BNS 4.9 |
| Point group | 2′ |
| Parent space group | P 21/c No. 14 |
| Spins | coplanar · net moment 3.6 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 13.5019 · b 9.9578 · c 6.9049 Å · α 90° · β 90° · γ 90.109° |
| Measured at | 2 K |
| Magnetic ions | Fe |
| Largest moment component | 4.6 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Fe1_1 | Fe | 0.8809 | 0.2498 | 0.1874 | 0.9 | 0 | −4.6 | 4.6872 |
| Fe1_2 | Fe | 0.1191 | 0.7502 | 0.8126 | 0.9 | 0 | 4.6 | 4.6872 |
| Cl1_1 | Cl | 0.8903 | 0.0102 | 0.1673 | ||||
| Cl1_3 | Cl | 0.1097 | −0.0102 | 0.8327 | ||||
| Cl2_1 | Cl | 0.8968 | 0.4899 | 0.1815 | ||||
| Cl2_3 | Cl | 0.1032 | 0.5101 | 0.8185 | ||||
| Cl3_1 | Cl | 0.7727 | 0.2543 | −0.077 | ||||
| Cl3_3 | Cl | 0.2273 | 0.7457 | 0.077 | ||||
| Cl4_1 | Cl | 0.7485 | 0.2508 | 0.4003 | ||||
| Cl4_3 | Cl | 0.2515 | 0.7492 | 0.5997 | ||||
| Cl5_1 | Cl | −0.0065 | 0.2449 | 0.4567 | ||||
| Cl5_3 | Cl | 0.0065 | 0.7551 | 0.5433 | ||||
| N1_1 | N | 0.8602 | 0.0044 | 0.6698 | ||||
| N1_3 | N | 0.1398 | −0.0044 | 0.3302 | ||||
| N2_1 | N | 0.8635 | 0.5018 | 0.6643 | ||||
| N2_3 | N | 0.1365 | 0.4982 | 0.3357 | ||||
| O1W_1 | O | 0.0022 | 0.2501 | −0.0032 | ||||
| O1W_3 | O | −0.0022 | 0.7499 | 0.0032 | ||||
| D1W_1 | D | 0.0349 | 0.3291 | −0.0522 | ||||
| D1W_3 | D | −0.0349 | 0.6708 | 0.0522 | ||||
| D2W_1 | D | 0.0354 | 0.1715 | −0.0506 | ||||
| D2W_3 | D | −0.0354 | 0.8285 | 0.0506 | ||||
| D1_1 | D | 0.8965 | 0.0845 | 0.6079 | ||||
| D1_3 | D | 0.1035 | −0.0845 | 0.3921 | ||||
| D2_1 | D | 0.8886 | −0.0831 | 0.6173 | ||||
| D2_3 | D | 0.1114 | 0.0831 | 0.3827 | ||||
| D3_1 | D | 0.8685 | 0.0074 | 0.8155 | ||||
| D3_3 | D | 0.1315 | −0.0074 | 0.1845 | ||||
| D4_1 | D | 0.7867 | 0.0101 | 0.6394 | ||||
| D4_3 | D | 0.2133 | −0.0101 | 0.3606 | ||||
| D5_1 | D | −0.0636 | 0.5026 | 0.7025 | ||||
| D5_3 | D | 0.0636 | 0.4974 | 0.2975 | ||||
| D6_1 | D | 0.8301 | 0.4166 | 0.7128 | ||||
| D6_3 | D | 0.1699 | 0.5834 | 0.2872 | ||||
| D7_1 | D | 0.8591 | 0.5072 | 0.5176 | ||||
| D7_3 | D | 0.1409 | 0.4928 | 0.4824 | ||||
| D8_1 | D | 0.8294 | 0.5845 | 0.7226 | ||||
| D8_3 | D | 0.1706 | 0.4155 | 0.2774 |
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.
J.A. Rodriguez-Velamazan et al. PHYSICAL REVIEW B (2017) · doi:10.1103/PhysRevB.95.174439
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.179_FeCl5D2O(ND4)2.mcif from MAGNDATA · entry page
sha256 of this copy: cc69eb7f83f1df9d63bb90950e02c320bcb2cbfa4f60cdf40a70e9a81e41dee0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.179_FeCl5D2O(ND4)2.mcif.