Research/Sitter/MAGNDATA / 0.175_Ca2CoSi2O7.mcif
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| Magnetic group | P 2121′2′ BNS 18.19 |
| Parent space group | P 4 21 m No. 113 |
| Spins | collinear · net moment 1.26 μB per cell |
| Propagation | [0 0 0] 1k |
| Cell | a 23.52 · b 23.52 · c 5.03 Å · α 90° · β 90° · γ 90° |
| Transition | 5.7 K (−267 °C) |
| Measured at | 2.5 K |
| Magnetic ions | Co |
| Largest moment component | 2.79 μB |
| Method | Single crystal ND |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Ca1 | Ca | 0.1086 | 0.0527 | 0.503 | ||||
| Ca2 | Ca | 0.1145 | 0.3923 | 0.49 | ||||
| Ca3 | Ca | 0.0554 | 0.2245 | 0.499 | ||||
| Ca4 | Ca | 0.2746 | 0.1114 | 0.515 | ||||
| Ca5 | Ca | 0.2677 | 0.4511 | 0.475 | ||||
| Ca6 | Ca | 0.2153 | 0.2664 | 0.519 | ||||
| Ca7 | Ca | 0.4409 | 0.0525 | 0.517 | ||||
| Ca8 | Ca | 0.4505 | 0.3973 | 0.516 | ||||
| Ca9 | Ca | 0.4028 | 0.2115 | 0.492 | ||||
| Co1 | Co | 0 | 0 | 0.001 | 2.79 | −0.07 | 0 | 2.7909 |
| Co2 | Co | 0.0066 | 0.3352 | 0.017 | 2.79 | −0.07 | 0 | 2.7909 |
| Co3 | Co | 0.1628 | 0.1636 | −0.006 | −2.79 | −0.07 | 0 | 2.7909 |
| Co4 | Co | 0.3336 | 0.0018 | 0.015 | 2.79 | −0.07 | 0 | 2.7909 |
| Co5 | Co | 0.334 | 0.3313 | 0.0017 | 2.79 | −0.07 | 0 | 2.7909 |
| Si1 | Si | 0.0418 | 0.1214 | 0.934 | ||||
| Si2 | Si | 0.0506 | 0.4568 | 0.92 | ||||
| Si3 | Si | 0.1241 | 0.2862 | 0.081 | ||||
| Si4 | Si | 0.2124 | 0.0411 | 0.071 | ||||
| Si5 | Si | 0.216 | 0.3812 | 0.032 | ||||
| Si6 | Si | 0.2827 | 0.2081 | 0.963 | ||||
| Si7 | Si | 0.3827 | 0.1234 | 0.944 | ||||
| Si8 | Si | 0.383 | 0.4549 | 0.935 | ||||
| Si9 | Si | 0.452 | 0.2811 | 0.056 | ||||
| O1 | O | 0.9917 | 0.1647 | 0.822 | ||||
| O2 | O | 0.174 | 0.9854 | 0.1742 | ||||
| O3 | O | 0.1797 | 0.3265 | 0.1724 | ||||
| O4 | O | 0.3401 | 0.1758 | 0.836 | ||||
| O5 | O | 0 | 0.5 | 0.795 | ||||
| O6 | O | 0.0423 | 0.1183 | 0.245 | ||||
| O7 | O | 0.0505 | 0.4582 | 0.2354 | ||||
| O8 | O | 0.1247 | 0.2822 | 0.751 | ||||
| O9 | O | 0.2165 | 0.0436 | 0.754 | ||||
| O10 | O | 0.208 | 0.3847 | 0.722 | ||||
| O11 | O | 0.2776 | 0.2032 | 0.2738 | ||||
| O12 | O | 0.3863 | 0.1209 | 0.258 | ||||
| O13 | O | 0.3862 | 0.4584 | 0.263 | ||||
| O14 | O | 0.4624 | 0.276 | 0.7443 | ||||
| O15 | O | 0.025 | 0.062 | 0.771 | ||||
| O16 | O | 0.0986 | 0.1435 | 0.773 | ||||
| O17 | O | 0.0342 | 0.3955 | 0.777 | ||||
| O18 | O | 0.1039 | 0.4798 | 0.7535 | ||||
| O19 | O | 0.1388 | 0.2266 | 0.2249 | ||||
| O20 | O | 0.0711 | 0.3125 | 0.2239 | ||||
| O21 | O | 0.1826 | 0.0953 | 0.2239 | ||||
| O22 | O | 0.2713 | 0.0301 | 0.23 | ||||
| O23 | O | 0.1864 | 0.4357 | 0.2064 | ||||
| O24 | O | 0.2779 | 0.3794 | 0.1706 | ||||
| O25 | O | 0.287 | 0.2728 | 0.8338 | ||||
| O26 | O | 0.2301 | 0.1799 | 0.7953 | ||||
| O27 | O | 0.3562 | 0.0674 | 0.7915 | ||||
| O28 | O | 0.4403 | 0.1371 | 0.7877 | ||||
| O29 | O | 0.3809 | 0.3879 | 0.831 | ||||
| O30 | O | 0.435 | 0.4821 | 0.782 | ||||
| O31 | O | 0.4841 | 0.2276 | 0.2185 | ||||
| O32 | O | 0.3918 | 0.2831 | 0.1809 |
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.
Sazonov, A. et al. PHYSICAL REVIEW B (2017) · doi:10.1103/PhysRevB.95.174431
Cite the original paper and MAGNDATA, not this mirror.
⬇ 0.175_Ca2CoSi2O7.mcif from MAGNDATA · entry page
sha256 of this copy: f1ed8fdb6b3ea6d23f615c76e3878765c9ef8ceab0ee24f7bd373d3f32aa6f8b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.175_Ca2CoSi2O7.mcif.