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

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PrCo2P2 (#2.26)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: R. Morrow, R. Mishra, O.D. Restrepo, M.R. Ball, W. Windl, S. Wurmehl, U. Stockert, B. Buchner and P.M. Woodward, Journal of the American Chemical Society (2013) 135 18824-18830.
DOI: 10.1021/ja407342w
Atomic positions from: ICSD #73650

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector(s):
k1 (0, 0, 1/2)
k2 (0, 0, 1)

Transition Temperature: 19 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
3.90100 3.90100 19.37200 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4/mm'm' (#123.345) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/mm'm' (15.6.58)
    [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|
Pr1_1Pr0.000000.000000.0000020,0,mz0.00.03.08(2)3.08
Pr1_2Pr0.500000.500000.2500010,0,mz0.00.0-3.083.08
Pr1_3Pr0.500000.500000.7500010,0,mz0.00.0-3.083.08
Co1_1Co0.000000.500000.1250040,0,mz0.00.00.90(5)0.90
Co1_2Co0.000000.500000.6250040,0,mz0.00.0-0.90.90

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mLD4 2 1 special primary 2
mM3+ 1 1 primary 1
mGM3+ 1 1 secondary 2 no


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