Research/Sitter/MAGNDATA / 1.83_BaFeO2.5.mcif
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| Magnetic group | Pa 21/c BNS 14.80 |
| Point group | 2/m1′ |
| Parent space group | P 21/c No. 14 |
| Spins | coplanar · net moment 0 μB per cell |
| Propagation | [1/2 0 0] 1k |
| Cell | a 13.9506 · b 11.7281 · c 23.4507 Å · α 90° · β 98.813° · γ 90° |
| Transition | 720 K (447 °C) |
| Measured at | 300 K |
| Magnetic ions | Fe |
| Largest moment component | 4.2 μB |
| Method | NPD |
| site | element | x | y | z | ma | mb | mc | |m| (μB) |
|---|---|---|---|---|---|---|---|---|
| Ba1 | Ba | 0.0273 | 0.3517 | 0.1145 | ||||
| Ba2 | Ba | 0.125 | 0.6141 | 0.3283 | ||||
| Ba3 | Ba | 0.0716 | 0.1304 | 0.3215 | ||||
| Ba4 | Ba | 0.1628 | 0.6328 | 0.0379 | ||||
| Ba5 | Ba | 0.0273 | 0.6176 | 0.6001 | ||||
| Ba6 | Ba | 0.2802 | 0.3549 | 0.2558 | ||||
| Ba7 | Ba | 0.1772 | 0.1102 | 0.0364 | ||||
| Fe1 | Fe | 0.2625 | 0.3531 | 0.1038 | 2.4 | 0 | 3.4 | 3.8496 |
| Fe2 | Fe | 0.1924 | 0.5816 | 0.186 | −1.9 | 0 | −2.6 | 2.976 |
| Fe3 | Fe | 0.031 | 0.3996 | 0.2595 | 1.6 | 0 | 2.4 | 2.6727 |
| Fe4 | Fe | 0.0869 | 0.1525 | 0.4707 | 1.9 | 0 | 2.9 | 3.2143 |
| Fe5 | Fe | 0.218 | 0.3817 | 0.3988 | −2.4 | 0 | −3.3 | 3.7714 |
| Fe6 | Fe | 0.1353 | 0.1045 | 0.1746 | −1.4 | 0 | −3.6 | 3.6573 |
| Fe7 | Fe | 0.0729 | 0.6217 | 0.4644 | 1.3 | 0 | 4.2 | 4.202 |
| O1 | O | 0 | 0 | 0 | ||||
| O2 | O | 0.1486 | 0.7097 | 0.1485 | ||||
| O3 | O | 0.4686 | 0.277 | 0.2271 | ||||
| O4 | O | 0.0191 | 0.0449 | 0.4273 | ||||
| O5 | O | 0.004 | 0.2474 | 0.0021 | ||||
| O6 | O | 0.1477 | 0.5 | 0.4297 | ||||
| O7 | O | 0.3567 | 0.2597 | 0.0766 | ||||
| O8 | O | 0.0279 | 0.1195 | 0.1079 | ||||
| O9 | O | 0.203 | −0.0138 | 0.1436 | ||||
| O10 | O | 0.2031 | 0.2443 | 0.147 | ||||
| O11 | O | 0.0587 | 0.0036 | 0.2168 | ||||
| O12 | O | 0.225 | 0.1263 | 0.2497 | ||||
| O13 | O | 0.0972 | 0.4907 | 0.211 | ||||
| O14 | O | 0.2708 | 0.4917 | 0.1449 | ||||
| O15 | O | 0.1557 | 0.2406 | 0.4261 | ||||
| O16 | O | 0.1798 | 0.3923 | 0.0364 | ||||
| O17 | O | 0.1258 | 0.3583 | 0.3225 | ||||
| O18 | O | 0.3265 | 0.3669 | 0.4636 |
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.
O. Clemens et al. Inorg. Chem. (2014) · doi:10.1021/ic402988y
Cite the original paper and MAGNDATA, not this mirror.
⬇ 1.83_BaFeO2.5.mcif from MAGNDATA · entry page
sha256 of this copy: c1e100c27b2c1cedbdf7b3a669d0020bee3cce524c08c990f6a3c4983d393360
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.83_BaFeO2.5.mcif.