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

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Cu1.94Mn1.06BO5 (#0.322)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: E. Moshkina, C. Ritter, E. Eremin, S. Sofronova, A. Kartashev, A. Dubrovskiy and L. Bezmaternykh, Journal of Physics: Condensed Matter (2017) 29 245801.
DOI: 10.1088/1361-648x/aa7020
Atomic positions from: ICSD #4622

Parent space group (paramagnetic phase): P21/c (#14)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 92 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
3.13850 9.40020 12.02040 90.00 92.27 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21'/c' (#14.79) (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'/m' (5.5.16)
    [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|
Cu1Cu0.000000.000000.000000.912mx,my,mz0.09(8)0.0-0.44(9)0.45
Cu2Cu0.500000.000000.500000.9322mx,my,mz0.60(8)0.00.97(6)1.12
Cu3Cu0.063800.987700.279000.8984mx,my,mz-0.23(3)0.00.91(5)0.95
Mn4Mn0.576000.732400.378500.8774mx,my,mz-1.93(2)0.0-1.91(6)2.66

    [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 12


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Comments (symmetry):

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