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

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Li2Ni(SO4)2 (#0.714)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Singh, P. K. Jha, M. Avdeev, W. Zhang, K. Jayanthi, A. Navrotsky, H. N. Alshareef, P. Barpanda, Chem. Mater. (2021) 33 6108 - 6119
DOI: 10.1021/acs.chemmater.1c01669
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/c (#14)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 15 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
4.95705 7.98479 8.70763 90.0000 121.865 90.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21/c (#14.75) (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: 2/m.1 (5.1.12)
    [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|
Ni1Ni0.000000.000000.000002mx,my,mz2.29(6)0.00.02.29

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 2


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Comments (symmetry):

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