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

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FeF3(H2O)2H2O (#1.157)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: G. Nenert, O. Fabelo, K. Forsberg, C.V. Colin and J. Rodriguez-Carvajal, Dalton Transactions (2015) 44 14130-14138.
DOI: 10.1039/c5dt02242h
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/n (#85)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 20 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
7.80949 7.80949 7.753338 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pb21/c (#14.81) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,-c,a+b;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (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|
Fe1Fe0.250000.250000.425954mx,my,03.23(4)0.00.03.23

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
MZ3-Z4- 2 2 general primary 2


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