MAGNDATA Collection of Magnetic Structures |

Magnetic structure with all atoms | Magnetic structure with only magnetic atoms |

k1 (0, 0, 1)

k2 (0, 1, 0)

k3 (1, 0, 0)

8.33500 8.33500 8.33500 90.00 90.00 90.00

Label | Atom type | x | y | z | Multiplicity | Symmetry constraints on M | M_{x} | M_{y} | M_{z} | |M| |
---|---|---|---|---|---|---|---|---|---|---|

Cr1_1 | Cr | 0.12500 | 0.12500 | 0.12500 | 4 | m_{x},m_{x},m_{z} | 0.4 | 0.4 | 0.4 | 0.69 |

Cr1_2 | Cr | 0.87500 | 0.37500 | 0.62500 | 8 | m_{x},m_{y},m_{z} | -0.4 | 0.4 | -0.4 | 0.69 |

Cr1_3 | Cr | 0.37500 | 0.62500 | 0.87500 | 4 | m_{x},-m_{x},m_{z} | -0.4 | 0.4 | 0.4 | 0.69 |

label | dim. full irrep | dim. small irrep | direction | action | number of modes | presence |

mX2 | 6 | 2 | special-2 | primary | 2 | |

mX4 | 6 | 2 | special-2 | primary | 2 | |

mX3 | 6 | 2 | special-2 | secondary | 1 | no |

mGM4+ | 3 | 3 | special | secondary | 2 | no |

- NPD and NSD
- The orientation of the basal component on the moment on the plane ab is undetermined, and has been chosen along a direction that maximizes the symmetry.
- Modulus of the magnetic moment forced equal on the three sites: 0.7
- cubic setting with origin choice 1
- Later (J. Phys.: Condens. Matter 20 (2008) 104238), a structural phase transition has been reported to happen simultaneously with the magnetic ordering, with a different propagation vector, which refutes this model.

- 3k magnetic structure
- The model includes correlations among the spins of the three independent sites that are not symmetry forced.
- Superposition of two irreps acting as primary (mX2 with k=(0,0,1) and mX4 for k=(0,1,0) and (1,0,0). The model also correlates the amplitudes of the two irreps.
- Not clear if more simple models associated with a single active irrep for the three k-vectors have been tried.

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