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

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MoP3SiO11 (#0.728)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: D. I. Badrtdinov, L. Ding, C. Ritter, J. Hembacher, N. Ahmed, Y. Skourski, A. A. Tsirlin, PHYSICAL REVIEW B (2021) 104 094428
DOI: 10.1103/PhysRevB.104.094428
Atomic positions from: same reference

Parent space group (paramagnetic phase): R-3c (#167)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 6.8 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
8.39520 8.39520 39.86900 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2/c' (#15.88) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;0,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m' (5.4.15)
    [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|
Mo1Mo0.000000.000000.1592012mx,my,mz1.5213.0420.02.63

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mGM3- 2 2 special primary 2
mGM1- 1 1 secondary 1 no


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