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

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La0.333Ca0.667MnO3 (#1.174)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: P.G. Radaelli, D.E. Cox, L. Capogna, S.-W. Cheong and M. Marezio, Physical Review B (1999) 59 14440-14450.
DOI: 10.1103/physrevb.59.14440
Atomic positions from: ICSD #56714

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 140 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
16.18470 7.48850 10.81500 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pbmc21 (#26.72) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,c,-a;0,1/4,1/8)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm21' (7.2.21)
    [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|
Mn1_1Mn0.165400.000000.006008mx,my,mz-1.88(6)0.0-1.64(6)2.49
Mn1_2Mn0.334600.000000.256008mx,my,mz-1.880.01.642.49
Mn2Mn0.000000.000000.250008mx,my,mz2.27(8)0.00.6(2)2.35

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mZ1 2 2 special primary 9


Comments:
Comments (symmetry):

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