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MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Na2CuSO4Cl2 (#1.682)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M. Fujihala, Y. Sakuma, S. Mitsuda, A. Nakao, K. Munakata, R. A. Mole, S. Yano, D. H. Yu, K. Takehana, Y. Imanaka, M. Akaki, S. Okubo, H. Ohta, PHYSICAL REVIEW B (2022) 105 144410
DOI: 10.1103/PhysRevB.105.144410
Atomic positions from: Fujihala et al., Phys. Rev. B 101, 024410 (2020), DOI: 10.1103/PhysRevB.101.024410

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 0.54 K
Experiment Temperature: 0.3 K

Lattice parameters of the magnetic unit cell:
13.97500 5.56570 15.97160 90.00 90.00 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
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BNS Magnetic Space Group: Pbmn21 (#31.129) (non-standard)
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Transformation to a standard setting: (b,-a,c;1/8,1/4,0)
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Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm21' (7.2.21)
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Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|

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Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mX1 2 2 special primary 2

Comments (symmetry):

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