Research/Sitter/MAGNDATA / 2.91_NaCo2(SeO3)2(OH).mcif
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| Magnetic group | P n′ a 21′ BNS 33.146 |
| Point group | m′m2′ |
| Parent space group | P n m a No. 62 |
| Spins | noncoplanar · net moment 10.08 μB per cell |
| Propagation | [0 0 0] · [1/2 0 0] 2k |
| Cell | a 26.3975 · b 6.00765 · c 8.31027 Å · α 90° · β 90° · γ 90° |
| Transition | 6 K (−267 °C) |
| Measured at | 1.5 K |
| Magnetic ions | Co |
| Largest moment component | 2.09 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Na1_1 | Na | 0.1251 | 0.25 | 0.8681 | ||||
| Na1_2 | Na | 0.8749 | 0.75 | 0.1319 | ||||
| Co1_1 | Co | 0.0548 | 0.25 | 0.2113 | −0.6 | −0.2 | 1.15 | 1.3124 |
| Co1_2 | Co | 0.9453 | 0.75 | 0.7887 | −0.6 | −0.2 | 1.15 | 1.3124 |
| Co2_1 | Co | 0 | 0 | 0.5 | 2.09 | 1.46 | 1.53 | 2.9733 |
| Co2_2 | Co | 0.25 | 0 | 0 | −2.09 | 1.46 | 1.53 | 2.9733 |
| Se1_1 | Se | 0.1646 | 0.25 | 0.2251 | ||||
| Se1_2 | Se | 0.8354 | 0.75 | 0.7749 | ||||
| Se2_1 | Se | 0.4874 | 0.25 | 0.8818 | ||||
| Se2_2 | Se | 0.5127 | 0.75 | 0.1182 | ||||
| O1_1 | O | 0.051 | 0.25 | 0.4628 | ||||
| O1_2 | O | 0.949 | 0.75 | 0.5372 | ||||
| H1_1 | H | 0.0785 | 0.25 | 0.529 | ||||
| H1_2 | H | 0.9215 | 0.75 | 0.471 | ||||
| O2_1 | O | 0.1956 | 0.25 | 0.0431 | ||||
| O2_2 | O | 0.8044 | 0.75 | 0.9569 | ||||
| O3_1 | O | 0.0449 | 0.25 | 0.9677 | ||||
| O3_2 | O | 0.955 | 0.75 | 0.0323 | ||||
| O4_1 | O | 0.4927 | 0.0302 | 0.753 | ||||
| O4_2 | O | 0.7573 | 0.9698 | 0.253 | ||||
| O4_3 | O | 0.5073 | 0.5302 | 0.247 | ||||
| O4_4 | O | 0.7427 | 0.4698 | 0.747 | ||||
| O5_1 | O | 0.1228 | 0.0413 | 0.1955 | ||||
| O5_2 | O | 0.1272 | 0.9587 | 0.6955 | ||||
| O5_3 | O | 0.8772 | 0.5413 | 0.8045 | ||||
| O5_4 | O | 0.3728 | 0.4587 | 0.3045 |
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.
L. D. Sanjeewa et al. Inorg. Chem. Front. (2022) · doi:10.1039/d2qi01072k
Cite the original paper and MAGNDATA, not this mirror.
⬇ 2.91_NaCo2(SeO3)2(OH).mcif from MAGNDATA · entry page
sha256 of this copy: 49b71b014658fefaed045b6c44d885d4adc87ff0fa595cf6ccd6c2a410d6c2bd
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.91_NaCo2(SeO3)2(OH).mcif.