MAGNDATA arrow Collection of Magnetic Structures


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

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CaCr0.86Fe3.14As3 (#0.429)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: P. Manuel, L.C. Chapon, G. Trimarchi, I.S. Todorov, D.Y. Chung, B. Ouladdiaf, M.J. Gutmann, A.J. Freeman and M.G. Kanatzidis, Physical Review B (2013) 88 104414.
DOI: 10.1103/physrevb.88.104414
Atomic positions from: ICSD #169100

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 90 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
12.16 3.766 11.80 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'ma (#62.443) (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: m'mm (8.3.26)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.021500.250000.314100.144(6)40,my,00.0-0.48(6)0.00.48
Fe2Fe0.066100.250000.538301.40,my,00.00.46(5)0.00.46
Fe3Fe0.305100.250000.122101.40,my,00.01.71(5)0.01.71
Fe4Fe0.315500.250000.723101.40,my,00.01.58(5)0.01.58

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM3- 1 1 primary 4


Comments:
Comments (symmetry):

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