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

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Mn3Ni20P6 (#2.15)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. Cedervall, P. Beran, M. Vennstrom, T. Danielsson, S. Ronneteg, V. Hoglin, D. Lindell, O. Eriksson, G. Andre, Y. Andersson, P. Nordblad and M. Sahlberg, Journal of Solid State Chemistry (2016) 237 343-348.
DOI: 10.1016/j.jssc.2016.02.028
Atomic positions from: ICSD #72351

Parent space group (paramagnetic phase): Fm-3m (#225)
Propagation vector(s):
k1 (0, 0, 1)
k2 (0, 0, 1/2)

Transition Temperature: 29 K
Experiment Temperature: 26 K

Lattice parameters of the magnetic unit cell:
11.08500 11.08500 22.17000 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cmm'm' (#65.486) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm (8.4.27)
    [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|
Mn1_1Mn0.000000.000000.0000040,my,00.02.2(3)0.02.20
Mn1_2Mn0.000000.500000.2500020,my,00.0-2.20.02.20
Mn1_3Mn0.000000.500000.7500020,my,00.0-2.20.02.20
Mn2_1Mn0.250000.250000.125008mx,my,00.02.7(2)0.02.70
Mn2_2Mn0.250000.250000.625008mx,my,00.0-2.70.02.70

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mX5+ 6 2 special primary 2
mDT5 12 2 special primary 3
mGM4+ 3 3 special secondary 2 no


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