MAGNDATA arrow Collection of Magnetic Structures


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

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ThCr2Si2C (#1.778)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Y. Xiao, B. Li, Q. Duan, S. Liu, Q. Ren, Y. Lin, Y. Xia, Y. Cui, H. Jiang, S. Wei, Z. RenY, Y. Mei, Y. Sun, S. Fu, S. Tan, Q. Jing, D. Yu, Y.l. Chen, C. Wang, G. Cao, Inorg. Chem. (2024) 63 211 - 218
DOI: 10.1021/acs.inorgchem.3c02988
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 370 K
Experiment Temperature: 6 K

Lattice parameters of the magnetic unit cell:
4.05400 4.05400 10.56000 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pamma (#51.298) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,a,b;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm1' (8.2.25)
    [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|
Cr1_1Cr0.000000.500000.250002mx,0,00.61(3)0.00.00.61
Cr1_2Cr0.500000.000000.250002mx,0,00.61(3)0.00.00.61

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mZ5- 2 2 special primary 2


Comments:
Comments (symmetry):

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