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

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KFe(PO3F)2 (#1.669)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: S. Siebeneichler, K. V. Dorn, A. Ovchinnikov, W. Papawassiliou, I. da Silva, V. Smetana, A. J. Pell, A.-V. Mudring, Chem. Mater (2022) 34 7982 - 7994
DOI: 10.1021/acs.chemmater.2c01916
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-3 (#147)
Propagation vector: k1 (1/3, 1/3, 1/4)

Transition Temperature: 3.6 K
Experiment Temperature: 1.91 K

Lattice parameters of the magnetic unit cell:
8.85770 8.85770 28.69200 90.00 90.00 120.00
Transformation from parent structure: (a-b,a+2b,4c;8/3,1/3,-1/2)
    [View matrix form]

BNS Magnetic Space Group: Pc3 (#143.3) (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: 3.1' (16.2.61)
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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:
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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mP2P3 4 2 special primary 2
mDT1(3k1) 2 1 general secondary 2 no
mP2P3(5k1) 4 2 special secondary 2 no

Comments (symmetry):

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