Research/Sitter/MAGNDATA / 0.764_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif
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| Magnetic group | C 2′/c′ BNS 15.89 |
| Point group | 2′/m′ |
| Parent space group | C 2/c No. 15 |
| Spins | noncoplanar · net moment 45.952 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 17.574 · b 9.1188 · c 9.4946 Å · α 90° · β 96.393° · γ 90° |
| Transition | 6.17 K (−267 °C) |
| Measured at | 4.5 K |
| Magnetic ions | Mn |
| Largest moment component | 3.8 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Mn1 | Mn | 0 | 0.3973 | 0.25 | 0.6 | 0 | −3 | 3.1242 |
| Mn2 | Mn | 0.3181 | 0.4111 | 0.1857 | 1.5 | 0.1 | −3.8 | 4.239 |
| Mn3 | Mn | 0.325 | 0.0255 | 0.1334 | 2.9 | 0.1 | 2.48 | 3.6012 |
| P1 | P | 0.4194 | 0.1813 | 0.4091 | ||||
| P2 | P | 0.1601 | 0.2398 | 0.1285 | ||||
| O1 | O | 0.5125 | 0.286 | 0.0825 | ||||
| O2 | O | 0.4231 | 0.0668 | 0.294 | ||||
| O3 | O | 0.3459 | 0.273 | 0.3677 | ||||
| O4 | O | 0.083 | 0.3912 | 0.4442 | ||||
| O5 | O | 0.3368 | 0.2375 | 0.0319 | ||||
| O6 | O | 0.2016 | 0.0956 | 0.1733 | ||||
| O7 | O | 0.2016 | 0.366 | 0.2127 | ||||
| O8 | O | 0.0742 | 0.2323 | 0.1574 | ||||
| O9 | O | 0.2402 | 0.0785 | 0.4703 | ||||
| O10 | O | 0.0765 | 0.0126 | 0.3503 | ||||
| D1 | D | 0.0246 | 0.2221 | 0.0092 | ||||
| D2 | D | 0.2638 | 0.1524 | 0.4143 | ||||
| D3 | D | 0.2024 | 0.1287 | 0.5221 | ||||
| D4 | D | 0.0653 | 0.0964 | 0.2831 | ||||
| D5 | D | 0.4687 | 0.4533 | 0.1406 |
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.
⬇ 0.764_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif from MAGNDATA · entry page
sha256 of this copy: 3a80e3f6b00cfeb293ab7b4634eb1434ea1f17928e9ceae0486e0b1161ce8862
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.764_Mn5(PO4)2(PO3(OH))2(HOH)4.mcif.