Cs1Mn1N3C3S3
MAGNDATA entry 1.781 · source
noncoplanar magnet
Spins pointing in three dimensions, not confined to a plane.
ordered ≤ 16.8 K (−256 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.Research/Sitter/MAGNDATA / 1.781_CsMn(NCS)3.mcif
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| Magnetic group | PS 1 BNS 2.7 |
| Point group | 11′ |
| Parent space group | P 21/n No. 14 |
| Spins | noncoplanar · net moment 0 μB per cell |
| Propagation | [0 1/2 1/2] 1k |
| Cell | a 12.7468 · b 26.4892 · c 11.3082 Å · α 90.3° · β 95.84° · γ 90.1° |
| Transition | 16.8 K (−256 °C) |
| Measured at | 2 K |
| Magnetic ions | Mn |
| Largest moment component | 4.4 μB |
| Method | NSD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Mn1_1 | Mn | 0.5 | 0 | 0.25 | −1.9 | 1.6 | 3.7 | 4.6086 |
| Mn1_2 | Mn | 0 | 0.25 | 0 | −1.1 | 3.3 | −3.2 | 4.6634 |
| Mn2_1 | Mn | 0 | 0 | 0.25 | 1.6 | −1.7 | −3.8 | 4.5901 |
| Mn2_2 | Mn | 0.5 | 0.25 | 0 | −1.5 | −4.4 | 0.1 | 4.651 |
| N1_1 | N | 0.9694 | 0.296 | 0.3416 | ||||
| N1_2 | N | 0.5306 | 0.546 | 0.9084 | ||||
| N2_1 | N | 0.4193 | 0.2215 | 0.1417 | ||||
| N2_2 | N | 0.0807 | 0.4715 | 0.1083 | ||||
| N3_1 | N | 0.1679 | 0.2531 | 0.4761 | ||||
| N3_2 | N | 0.3321 | 0.5031 | 0.7739 | ||||
| C1_1 | C | 0.9902 | 0.3126 | 0.2513 | ||||
| C1_2 | C | 0.5098 | 0.5626 | 0.9987 | ||||
| C2_1 | C | 0.4177 | 0.2027 | 0.2351 | ||||
| C2_2 | C | 0.0823 | 0.4527 | 0.0149 | ||||
| C3_1 | C | 0.2413 | 0.2763 | 0.4542 | ||||
| C3_2 | C | 0.2587 | 0.5263 | 0.7958 | ||||
| Cs1_1 | Cs | 0.2167 | 0.1376 | 0.0747 | ||||
| Cs1_2 | Cs | 0.2833 | 0.3876 | 0.1752 | ||||
| S1_1 | S | 0.02 | 0.3364 | 0.125 | ||||
| S1_2 | S | 0.48 | 0.5864 | 0.125 | ||||
| S2_1 | S | 0.4167 | 0.1741 | 0.3629 | ||||
| S2_2 | S | 0.0833 | 0.424 | 0.8871 | ||||
| S3_1 | S | 0.3431 | 0.3106 | 0.425 | ||||
| S3_2 | S | 0.1569 | 0.5606 | 0.825 |
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. Geers et al. Chem. Sci. (2023) · doi:10.1039/d2sc06861c
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.781_CsMn(NCS)3.mcif from MAGNDATA · entry page
sha256 of this copy: ced1734a518e69260e115a262aa702623df4bd975de6b5a23cd3cc849fc55625
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.781_CsMn(NCS)3.mcif.