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

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LiFe(MoO4)2 (#1.617)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. Liu, Y. Zhang, T. Zou, V. O. Garlea, T. Charlton, Yu Wang, F. Liu, Y. Xie, X. Li, L. Yang, B. Li, X. Wang, S. Dong, J.-M. Liu, Inorg. Chem. (2020) 59 8127 - 8133
DOI: 10.1021/acs.inorgchem.0c00432
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-1 (#2)
Propagation vector: k1 (0, 1/2, 0)

Transition Temperature: 23.8 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
6.7510 14.4060 7.1700 90.673 110.227 105.579
Transformation from parent structure: (a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,-c,b;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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|
Fe1Fe0.399930.050130.318394mx,my,mz0.5824.21.2964.21

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mY1- 1 1 primary 3


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Comments (symmetry):

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