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

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MnS (#1.619)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. K. Clark, V.t Yannello, A. M. Samarakoon, C. Ross, M. C. Uible, V. O. Garlea, M. Shatruk, J. Phys. Chem. C (2021) 125 16183 - 16190
DOI: 10.1021/acs.jpcc.1c02956
Atomic positions from: same reference

Parent space group (paramagnetic phase): Fm-3m (#225)
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 152 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
10.40560 10.40560 10.40560 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (3/4a+1/2b+3/4c,1/4a-1/4c,a+b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (5.2.13)
    [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|
Mn1Mn0.000000.000000.0000032mx,0,-mx3.110.0-3.114.40

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mL3+ 8 2 special primary 1


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Comments (symmetry):

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