Research/Sitter/MAGNDATA / 0.431_CuB2O4.mcif
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| Magnetic group | P 1 BNS 1.1 |
| Parent space group | I 4 2 d No. 122 |
| Spins | coplanar · net moment 0 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 11.484 · b 11.484 · c 5.62 Å · α 90° · β 90° · γ 90° |
| Transition | 21 K (−252 °C) |
| Measured at | 12 K |
| Magnetic ions | Cu |
| Largest moment component | 0.601 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Cu1_1 | Cu | 0 | 0 | 0.5 | 0.601 | 0.601 | 0.15 | 0.8631 |
| Cu1_2 | Cu | 0.5 | 0 | 0.25 | −0.601 | −0.601 | −0.15 | 0.8631 |
| Cu2_1 | Cu | 0.083 | 0.25 | 0.125 | −0.023 | −0.024 | 0.2 | 0.2027 |
| Cu2_2 | Cu | 0.917 | 0.75 | 0.125 | −0.023 | −0.024 | −0.2 | 0.2027 |
| Cu2_3 | Cu | 0.25 | 0.917 | 0.875 | 0.023 | 0.024 | 0.2 | 0.2027 |
| Cu2_4 | Cu | 0.75 | 0.083 | 0.875 | 0.023 | 0.024 | −0.2 | 0.2027 |
| O1_1 | O | 0.156 | 0.066 | 0.498 | ||||
| O1_2 | O | 0.844 | 0.934 | 0.498 | ||||
| O1_3 | O | 0.066 | 0.844 | 0.502 | ||||
| O1_4 | O | 0.934 | 0.156 | 0.502 | ||||
| O1_5 | O | 0.344 | 0.066 | 0.252 | ||||
| O1_6 | O | 0.656 | 0.934 | 0.252 | ||||
| O1_7 | O | 0.434 | 0.844 | 0.248 | ||||
| O1_8 | O | 0.566 | 0.156 | 0.248 | ||||
| O2_1 | O | 0.247 | 0.25 | 0.125 | ||||
| O2_2 | O | 0.753 | 0.75 | 0.125 | ||||
| O2_3 | O | 0.25 | 0.753 | 0.875 | ||||
| O2_4 | O | 0.75 | 0.247 | 0.875 | ||||
| O3_1 | O | 0.916 | 0.25 | 0.125 | ||||
| O3_2 | O | 0.084 | 0.75 | 0.125 | ||||
| O3_3 | O | 0.25 | 0.084 | 0.875 | ||||
| O3_4 | O | 0.75 | 0.916 | 0.875 | ||||
| O4_1 | O | 0.071 | 0.189 | 0.789 | ||||
| O4_2 | O | 0.929 | 0.811 | 0.789 | ||||
| O4_3 | O | 0.189 | 0.929 | 0.211 | ||||
| O4_4 | O | 0.811 | 0.071 | 0.211 | ||||
| O4_5 | O | 0.429 | 0.189 | 0.961 | ||||
| O4_6 | O | 0.571 | 0.811 | 0.961 | ||||
| O4_7 | O | 0.311 | 0.929 | 0.539 | ||||
| O4_8 | O | 0.689 | 0.071 | 0.539 | ||||
| B1_1 | B | 0.183 | 0.146 | 0.702 | ||||
| B1_2 | B | 0.817 | 0.854 | 0.702 | ||||
| B1_3 | B | 0.146 | 0.817 | 0.298 | ||||
| B1_4 | B | 0.854 | 0.183 | 0.298 | ||||
| B1_5 | B | 0.317 | 0.146 | 0.048 | ||||
| B1_6 | B | 0.683 | 0.854 | 0.048 | ||||
| B1_7 | B | 0.354 | 0.817 | 0.452 | ||||
| B1_8 | B | 0.646 | 0.183 | 0.452 | ||||
| B2_1 | B | 0.503 | 0.25 | 0.125 | ||||
| B2_2 | B | 0.497 | 0.75 | 0.125 | ||||
| B2_3 | B | 0.25 | 0.497 | 0.875 | ||||
| B2_4 | B | 0.75 | 0.503 | 0.875 |
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.
M. Boehm et al. PHYSICAL REVIEW B (2003) · doi:10.1103/PhysRevB.68.024405
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.431_CuB2O4.mcif from MAGNDATA · entry page
sha256 of this copy: 3cc5ae7ad29c568fff6cb91d09c97b96b1eea556ad6c635e0eb474cbceecfb51
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.431_CuB2O4.mcif.