Research/Sitter/MAGNDATA / 1.1.134_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif
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| Magnetic group | P21/c1′(α,0,γ)00s |
| Point group | 2/m1′ |
| Parent space group | C 2/c No. 15 |
| Repeats every | 1.92 cells along a (not a whole number: that's what incommensurate means) |
| Propagation | [0.522 0 0.055] 1k |
| Cell | a 17.5715 · b 9.1185 · c 9.4931 Å · α 90° · β 96.391° · γ 90° |
| Transition | 1.86 K (−271 °C) |
| Measured at | 1.5 K |
| Magnetic ions | Mn |
| Largest moment component | 7 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Mn1 | Mn | 0.7272 | 0.852 | 0.745 | ||||
| Mn2_1 | Mn | 0.4267 | 0.662 | 0.289 | ||||
| Mn2_2 | Mn | 0.9369 | 0.134 | 0.337 | ||||
| Mn3_1 | Mn | 0.428 | 0.253 | 0.374 | ||||
| Mn3_2 | Mn | 0.9197 | 0.788 | 0.353 | ||||
| P1_1 | P | 0.3334 | 0.451 | 0.09 | ||||
| P1_2 | P | 0.8298 | 0.935 | 0.083 | ||||
| P2_1 | P | 0.5915 | 0.489 | 0.383 | ||||
| P2_2 | P | 0.0888 | 0.984 | 0.364 | ||||
| O1_1 | O | 0.2674 | 0.54 | 0.087 | ||||
| O1_2 | O | 0.7528 | 0.032 | 0.077 | ||||
| O2_1 | O | 0.3222 | 0.313 | 0.205 | ||||
| O2_2 | O | 0.8351 | 0.834 | 0.195 | ||||
| O3_1 | O | 0.4132 | 0.51 | 0.135 | ||||
| O3_2 | O | 0.901 | 0.031 | 0.129 | ||||
| O4_1 | O | 0.6631 | 0.631 | 0.056 | ||||
| O4_2 | O | 0.1688 | 0.148 | 0.063 | ||||
| O5_1 | O | 0.4188 | 0.491 | 0.467 | ||||
| O5_2 | O | 0.9138 | 0.98 | 0.467 | ||||
| O6_1 | O | 0.5509 | 0.35 | 0.33 | ||||
| O6_2 | O | 0.0454 | 0.845 | 0.335 | ||||
| O7_1 | O | 0.5495 | 0.609 | 0.29 | ||||
| O7_2 | O | 0.0466 | 0.128 | 0.281 | ||||
| O8_1 | O | 0.679 | 0.481 | 0.338 | ||||
| O8_2 | O | 0.1714 | 0.989 | 0.355 | ||||
| O9_1 | O | 0.5082 | 0.319 | 0.024 | ||||
| O9_2 | O | 0.0133 | 0.832 | 0.037 | ||||
| O10_1 | O | 0.668 | 0.276 | 0.149 | ||||
| O10_2 | O | 0.1757 | 0.742 | 0.137 | ||||
| D1_1 | D | 0.2244 | 0.518 | −0.0023 | ||||
| D1_2 | D | 0.7264 | 0.026 | −0.023 | ||||
| D2_1 | D | 0.5398 | 0.39 | −0.0221 | ||||
| D2_2 | D | 0.0548 | 0.871 | −0.023 | ||||
| D3_1 | D | 0.48 | 0.413 | 0.081 | ||||
| D3_2 | D | 0.9921 | 0.891 | 0.085 | ||||
| D4_1 | D | 0.708 | 0.214 | 0.133 | ||||
| D4_2 | D | 0.2265 | 0.691 | 0.141 | ||||
| D5_1 | D | 0.683 | 0.362 | 0.2312 | ||||
| D5_2 | D | 0.1832 | 0.821 | 0.1997 |
Incommensurate: the moments are modulated; the picture evaluates each atom's Fourier series at its own phase.
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.
S. Park et al. Symmetry (2021) · doi:10.3390/sym13091688
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.1.134_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif from MAGNDATA · entry page
sha256 of this copy: 4b3d5e3f065d9aa6801ae3c192663813f1836d1f4dde2e199724e5ac1af1316f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.134_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif.