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Na2Mn3Se4 (#2.33)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: C, Pak, V. O, Garlea, V. Yannello, H. Cao, A.F. Bangura, M. Shatruk, Inorg. Chem. (2019) 58 5799 - 5806
DOI: 10.1021/acs.inorgchem.9b00134
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector(s):
k1 (1/2, 1/2, 1/2)
k2 (1, 0, 0)

Transition Temperature: 27 K
Experiment Temperature: 1.7 K

Lattice parameters of the magnetic unit cell:
31.71100 8.14680 12.86540 90.00 90.81 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2c,-1/2a+1/2b,1/2a-1/2b+c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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|
Mn1Mn0.000000.000000.0000016mx,my,mz0.3(2)-2.2(2)-3.2(1)3.90
Mn2_1Mn0.292170.000000.1896016mx,my,mz0.2-2.7-3.14.12
Mn2_2Mn0.707830.000000.8103916mx,my,mz2.51.21.73.23

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mY1+ 1 1 primary? 2
mY2+ 1 1 primary? 4
mL1- 2 2 special primary 3


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Comments (symmetry):

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