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

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Ba2Ni2F7Cl (#1.352)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. Fompeyrine, J. Darriet, J.-J. Maguer, J. Greneche, G. Courbion, T. Roisnel and J. Rodriguez-Carvajal, Journal of Solid State Chemistry (1997) 131 198-214.
DOI: 10.1006/jssc.1997.7352
Atomic positions from: ICSD #84782

Parent space group (paramagnetic phase): P21/m (#11)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 92 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
15.178 5.759 8.776 90.00 106.71 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc21/c (#14.82) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,b,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (5.2.13)
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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|
Ni1Ni0.412250.250000.718204mx,0,mz1.570.01.1.60
Ni2Ni0.407600.250000.179504mx,0,mz-1.570.0-0.11.54

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mY2+ 1 1 primary 4


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Comments (symmetry):

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