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

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[C(ND2)3]Mn(DCOO)3 (#0.256)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. Viswanathan, S.G. Bhat, A.K. Bera and J. Rodriguez-Carvajal, The Journal of Physical Chemistry C (2019) 123 18551-18559.
DOI: 10.1021/acs.jpcc.9b04368
Atomic positions from: ICSD #248002

Parent space group (paramagnetic phase): Pnna (#52)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 8.73 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
8.52110 11.97790 9.05930 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'n'a (#52.310) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [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|
Mn1Mn0.251920.250000.2500040,my,mz0.05.04(3)0.05.04

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 2


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