Research/Sitter/MAGNDATA / 0.53_RbyFe2-xSe2.mcif
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| Magnetic group | C 2′/m′ BNS 12.62 |
| Point group | 2′/m′ |
| Parent space group | I 4/m No. 87 |
| Spins | collinear · 1 nodal planes · net moment 0 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 8.7996 · b 8.7996 · c 14.5762 Å · α 90° · β 90° · γ 90° |
| Transition | 560 K (287 °C) |
| Measured at | 300 K |
| Magnetic ions | Fe |
| Largest moment component | 2.08 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Rb1 | Rb | 0 | 0 | 0 | ||||
| Rb2_1 | Rb | 0.399 | 0.803 | 0 | ||||
| Rb2_2 | Rb | 0.197 | 0.399 | 0 | ||||
| Fe1 | Fe | 0 | 0.5 | 0.25 | ||||
| Fe2_1 | Fe | 0.2958 | 0.592 | 0.2524 | 0 | 0 | 2.08 | 2.08 |
| Fe2_2 | Fe | 0.408 | 0.2958 | 0.2524 | 0 | 0 | −2.08 | 2.08 |
| Se1_1 | Se | 0.388 | 0.794 | 0.6495 | ||||
| Se1_2 | Se | 0.206 | 0.388 | 0.6495 | ||||
| Se2 | Se | 0 | 0 | 0.645 |
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.
V.Y. Pomjakushin et al. J. Phys.: Condens. Matter (2011) · doi:10.1088/0953-8984/23/15/156003
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.53_RbyFe2-xSe2.mcif from MAGNDATA · entry page
sha256 of this copy: f5cb23ce10a90f7d10ce85dced1053cad46a446deaa2ec921bccfcf85a879717
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.53_RbyFe2-xSe2.mcif.