Research/Sitter/MAGNDATA / 1.0.25_CaBaCo3FeO7.mcif
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| Magnetic group | P n′ a′ 21 BNS 33.148 |
| Parent space group | P n a 21 No. 33 |
| Spins | coplanar · net moment 0.04 μB per cell |
| Propagation | [1/3 0 0] 1k |
| Cell | a 18.9972 · b 11.0221 · c 10.2524 Å · α 90° · β 90° · γ 90° |
| Transition | 150 K (−123 °C) |
| Measured at | 1.5 K |
| Magnetic ions | Co |
| Largest moment component | 2.82 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Ca1_1 | Ca | 0.1679 | 0.1695 | 0.6265 | ||||
| Ca1_2 | Ca | 0.9987 | 0.6695 | 0.6265 | ||||
| Ca1_3 | Ca | 0.3346 | 0.3305 | 0.1265 | ||||
| Ba1_1 | Ba | 0.1655 | 0.1613 | 0.9993 | ||||
| Ba1_2 | Ba | 0.0011 | 0.6613 | 0.9993 | ||||
| Ba1_3 | Ba | 0.3322 | 0.3387 | 0.4993 | ||||
| Co1_1 | Co | 0.3332 | 0.9966 | 0.557 | 2.82 | 0 | −1.31 | 3.1094 |
| Co1_2 | Co | 0.8335 | 0.4966 | 0.557 | 2.82 | 0 | −1.31 | 3.1094 |
| Co1_3 | Co | 0.4999 | 0.5034 | 0.057 | 0 | 0 | 2.62 | 2.62 |
| Fe1_1 | Fe | 0.3332 | 0.9966 | 0.557 | ||||
| Fe1_2 | Fe | 0.8335 | 0.4966 | 0.557 | ||||
| Fe1_3 | Fe | 0.4999 | 0.5034 | 0.057 | ||||
| Co2_1 | Co | 0.3313 | 0.1746 | 0.817 | −2.59 | 0 | 1.02 | 2.7836 |
| Co2_2 | Co | 0.8353 | 0.6746 | 0.817 | −2.59 | 0 | 1.02 | 2.7836 |
| Co2_3 | Co | 0.498 | 0.3254 | 0.317 | 0 | 0 | −2.04 | 2.04 |
| Fe2_1 | Fe | 0.3313 | 0.1746 | 0.817 | ||||
| Fe2_2 | Fe | 0.8353 | 0.6746 | 0.817 | ||||
| Fe2_3 | Fe | 0.498 | 0.3254 | 0.317 | ||||
| Co3_1 | Co | 0.0837 | 0.5857 | 0.3126 | 2.19 | 0 | 0.97 | 2.3952 |
| Co3_2 | Co | 0.083 | 0.0857 | 0.3126 | 0 | 0 | −1.94 | 1.94 |
| Co3_3 | Co | 0.2504 | 0.9143 | 0.8126 | −2.19 | 0 | 0.97 | 2.3952 |
| Fe3_1 | Fe | 0.0837 | 0.5857 | 0.3126 | ||||
| Fe3_2 | Fe | 0.083 | 0.0857 | 0.3126 | ||||
| Fe3_3 | Fe | 0.2504 | 0.9143 | 0.8126 | ||||
| Co4_1 | Co | 0.2487 | 0.0826 | 0.3155 | −2.44 | 0 | 0.53 | 2.4969 |
| Co4_2 | Co | 0.9179 | 0.5826 | 0.3155 | −2.44 | 0 | 0.53 | 2.4969 |
| Co4_3 | Co | 0.4154 | 0.4174 | 0.8155 | 0 | 0 | −1.07 | 1.07 |
| Fe4_1 | Fe | 0.2487 | 0.0826 | 0.3155 | ||||
| Fe4_2 | Fe | 0.9179 | 0.5826 | 0.3155 | ||||
| Fe4_3 | Fe | 0.4154 | 0.4174 | 0.8155 | ||||
| O1_1 | O | 0.0873 | 0.2463 | 0.2321 | ||||
| O1_2 | O | 0.0794 | 0.7463 | 0.2321 | ||||
| O1_3 | O | 0.254 | 0.2537 | 0.7321 | ||||
| O2_1 | O | 0.2451 | 0.7525 | 0.2821 | ||||
| O2_2 | O | 0.9216 | 0.2525 | 0.2821 | ||||
| O2_3 | O | 0.4118 | 0.7475 | 0.7821 | ||||
| O3_1 | O | 0.3327 | 0.506 | 0.7699 | ||||
| O3_2 | O | 0.834 | 0.006 | 0.7699 | ||||
| O3_3 | O | 0.4993 | 0.994 | 0.2699 | ||||
| O4_1 | O | 0 | 0.999 | 0.7472 | ||||
| O4_2 | O | 0.1667 | 0.499 | 0.7472 | ||||
| O4_3 | O | 0.1667 | 0.501 | 0.2472 | ||||
| O5_1 | O | 0.0852 | 0.9439 | 0.9976 | ||||
| O5_2 | O | 0.0814 | 0.4439 | 0.9976 | ||||
| O5_3 | O | 0.2519 | 0.5561 | 0.4976 | ||||
| O6_1 | O | 0.2395 | 0.4046 | 0.9961 | ||||
| O6_2 | O | 0.9271 | 0.9046 | 0.9961 | ||||
| O6_3 | O | 0.4062 | 0.0954 | 0.4961 | ||||
| O7_1 | O | 0.0212 | 0.846 | 0.4911 | ||||
| O7_2 | O | 0.1455 | 0.346 | 0.4911 | ||||
| O7_3 | O | 0.1878 | 0.654 | 0.9911 |
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. Cuartero et al. Inorg. Chem. (2018) · doi:10.1021/acs.inorgchem.8b00112
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.0.25_CaBaCo3FeO7.mcif from MAGNDATA · entry page
sha256 of this copy: e60bd874e0d518e9e9f079c8631d3de64ee2e1181fd56876d6938841605f05e5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.25_CaBaCo3FeO7.mcif.