Cu4(OH)6FBr
MAGNDATA entry 0.393 · source
noncoplanar ferrimagnet
Opposite moments of different size leave a net magnetisation.
ordered ≤ 6 K (−267 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.Research/Sitter/MAGNDATA / 0.393_Cu4(OH)6FBr.mcif
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| Magnetic group | P 21′/m′ BNS 11.54 |
| Parent space group | P 63/m No. 176 |
| Spins | noncoplanar · net moment 0.941 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 13.3208 · b 13.3208 · c 9.2662 Å · α 90° · β 90° · γ 120° |
| Transition | 6 K (−267 °C) |
| Measured at | 2.7 K |
| Magnetic ions | Cu |
| Largest moment component | 0.26 μB |
| Method | NSD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Cu1_1 | Cu | 0.5 | 0.2505 | 0.5 | −0.03 | 0.12 | 0.08 | 0.1591 |
| Cu1_2 | Cu | −0.2505 | 0.2495 | 0.5 | −0.14 | −0.17 | 0 | 0.1572 |
| Cu1_3 | Cu | −0.2495 | −0.5 | 0.5 | 0.15 | 0.03 | −0.08 | 0.1591 |
| Cu2_1 | Cu | 0.2498 | 0.2502 | 0.4971 | −0.1 | −0.26 | 0 | 0.2272 |
| Cu2_2 | Cu | −0.2502 | −0.0004 | 0.4971 | 0.23 | 0.14 | −0.11 | 0.2289 |
| Cu2_3 | Cu | 0.0004 | −0.2498 | 0.4971 | −0.14 | 0.09 | 0.11 | 0.2289 |
| Cu3_1 | Cu | 0.3714 | 0.6857 | 0.25 | −0.14 | −0.12 | 0 | 0.1311 |
| Cu3_2 | Cu | −0.6857 | −0.3143 | 0.25 | −0.14 | −0.12 | 0 | 0.1311 |
| Cu3_3 | Cu | 0.3143 | −0.3714 | 0.25 | −0.14 | −0.12 | 0 | 0.1311 |
| Cu4_1 | Cu | 0.3142 | 0.1855 | 0.25 | 0.15 | 0.075 | 0 | 0.1299 |
| Cu4_2 | Cu | −0.1855 | 0.1287 | 0.25 | −0.075 | 0.075 | 0 | 0.1299 |
| Cu4_3 | Cu | −0.1287 | −0.3142 | 0.25 | −0.075 | −0.15 | 0 | 0.1299 |
| Cu5_1 | Cu | 0.3144 | 0.1286 | 0.25 | 0.15 | 0.075 | 0 | 0.1299 |
| Cu5_2 | Cu | −0.1286 | 0.1858 | 0.25 | −0.075 | 0.075 | 0 | 0.1299 |
| Cu5_3 | Cu | −0.1858 | −0.3144 | 0.25 | −0.075 | −0.15 | 0 | 0.1299 |
| Cu6_1 | Cu | 0.3714 | 0.1855 | 0.25 | 0.15 | 0.075 | 0 | 0.1299 |
| Cu6_2 | Cu | −0.1855 | 0.1859 | 0.25 | −0.075 | 0.075 | 0 | 0.1299 |
| Cu6_3 | Cu | −0.1859 | −0.3714 | 0.25 | −0.075 | −0.15 | 0 | 0.1299 |
| Br1_1 | Br | 0.6667 | 0.8338 | 0.25 | ||||
| Br1_2 | Br | −0.8338 | −0.1671 | 0.25 | ||||
| Br1_3 | Br | 0.1671 | −0.6667 | 0.25 | ||||
| Br2 | Br | 0.6667 | 0.3333 | 0.25 | ||||
| F1_1 | F | 0.5008 | 0.5009 | 0.25 | ||||
| F1_2 | F | −0.5009 | −0 | 0.25 | ||||
| F1_3 | F | 0 | −0.5008 | 0.25 | ||||
| F2 | F | 0 | 0 | 0.25 | ||||
| O1_1 | O | 0.6011 | 0.3993 | 0.5918 | ||||
| O1_2 | O | −0.3993 | 0.2018 | 0.5918 | ||||
| O1_3 | O | −0.2018 | −0.6011 | 0.5918 | ||||
| O2_1 | O | 0.3989 | 0.1011 | 0.4076 | ||||
| O2_2 | O | −0.1011 | 0.2978 | 0.4076 | ||||
| O2_3 | O | −0.2978 | −0.3989 | 0.4076 | ||||
| O3_1 | O | 0.3992 | 0.2984 | 0.4088 | ||||
| O3_2 | O | −0.2984 | 0.1007 | 0.4088 | ||||
| O3_3 | O | −0.1007 | −0.3992 | 0.4088 | ||||
| O4_1 | O | 0.2019 | 0.1002 | 0.4082 | ||||
| O4_2 | O | −0.1002 | 0.1016 | 0.4082 | ||||
| O4_3 | O | −0.1016 | −0.2019 | 0.4082 | ||||
| H1_1 | H | 0.5527 | 0.4272 | 0.628 | ||||
| H1_2 | H | −0.4272 | 0.1255 | 0.628 | ||||
| H1_3 | H | −0.1255 | −0.5527 | 0.628 | ||||
| H2_1 | H | 0.4502 | 0.072 | 0.377 | ||||
| H2_2 | H | −0.072 | 0.3782 | 0.377 | ||||
| H2_3 | H | −0.3782 | −0.4502 | 0.377 | ||||
| H3_1 | H | 0.428 | 0.3754 | 0.375 | ||||
| H3_2 | H | −0.3754 | 0.0526 | 0.375 | ||||
| H3_3 | H | −0.0526 | −0.428 | 0.375 | ||||
| H4_1 | H | 0.1243 | 0.0516 | 0.37 | ||||
| H4_2 | H | −0.0516 | 0.0727 | 0.37 | ||||
| H4_3 | H | −0.0727 | −0.1243 | 0.37 |
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.
R.W. Smaha et al. npj Quantum Materials (2020) · doi:10.1038/s41535-020-0222-8
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.393_Cu4(OH)6FBr.mcif from MAGNDATA · entry page
sha256 of this copy: b0e5b64240c206dcc378249c8de78fad458530080dcd7319ed056fa0e44a90cb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.393_Cu4(OH)6FBr.mcif.