MAGNDATA arrow Collection of Magnetic Structures


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

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C7H14NFeCl4 (#0.851)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: P. Gonzalez-Izquierdo, O. Fabelo, L. Canadillas-Delgado, G. Beobide, O. Vallcorba, M. Sanchez-Andujar, M. T. Fernandez-Diaz, I. de Pedro, J. Mater. Chem. C (2020) 8 11389 - 11398
DOI: 10.1039/d0tc02341h
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pbca (#61)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 3 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
13.0547 12.5671 14.6000 90.0000 90.0000 90.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21'21'21 (#19.27) (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: 2'2'2 (6.3.19)
    [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|
Fe1_1Fe0.283130.042570.249114mx,my,mz-1.23(7)-3.5(2)0.053.71
Fe1_2Fe0.716870.957430.750894mx,my,mz1.81(11)-3.20(19)0.053.68

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 3
mGM2- 1 1 primary 3


Comments:
Comments (symmetry):

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