MAGNDATA arrow Collection of Magnetic Structures


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

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BaCoSiO4 (#1.0.49)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: L. Ding, X. Xu, H. O. Jeschke, X. Bai, E. Feng, A. S. Alemayehu, J. Kim, F.-T. Huang, Q. Zhang, X. Ding, N. Harrison, V. Zapf, D. Khomskii, I. I. Mazin, S.-W. Cheong, H. Cao, NATURE COMMUNICATIONS (2021) 12 5339
DOI: 10.1038/s41467-021-25657-6
Atomic positions from: same reference

Parent space group (paramagnetic phase): P63 (#173)
Propagation vector(s):
k1 (1/3, 1/3, 0)
k2 (0, 0, 0)

Transition Temperature: 3.2 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
15.78310 15.78310 8.64470 90.00 90.00 120.00
Transformation from parent structure: (-a-2b,2a+b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P63 (#173.129) (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: 6.1 (21.1.76)
    [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|
Co1_1Co0.776340.228670.530006mx,my,mz1.5653.130.02.71
Co1_2Co0.109660.895330.530006mx,my,mz1.5653.130.02.71
Co1_3Co0.557000.438000.030006mx,my,mz1.5653.130.02.71

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mK1 2 1 special primary 6
mGM1 1 1 secondary 3 yes


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Comments (symmetry):

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