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

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CrPS4 (#1.440)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Calder, A.V. Haglund, Y. Liu, D.M. Pajerowski, H.B. Cao, T.J. Williams, V.O. Garlea and D. Mandrus, Physical Review B (2020) 102 024408.
DOI: 10.1103/physrevb.102.024408
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2 (#5)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 40 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
10.8510 7.2560 12.2116 90.00 92.036 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2 (#5.16) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 21' (3.2.7)
    [View symmetry operations]
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

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Cr1Cr0.000000.037500.000004mx,0,mz0.60.02.82.84
Cr2Cr0.000000.542700.000004mx,0,mz0.60.02.82.84

    [Show all magnetic atoms in unit cell and their moment relations]



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mA2 1 1 primary 4


Comments:
Comments (symmetry):

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