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

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Mn6Ni16Si7 (#1.454)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S.J. Ahmed, J.E. Greedan, C. Boyer and M. Niewczas, Inorganic Chemistry (2018) 57 14144-14151.
DOI: 10.1021/acs.inorgchem.8b01964
Atomic positions from: same reference

Parent space group (paramagnetic phase): Fm-3m (#225)
Propagation vector: k1 (0, 0, 1)

Transition Temperature: 198 K
Experiment Temperature: 100 K

Lattice parameters of the magnetic unit cell:
11.1238(3) 11.12380 11.12380 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: CAmca (#64.480) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,a,-c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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_1Mn0.6969(3)0.000000.0000080,my,00.0-4.45(5)0.04.45
Mn1_2Mn0.000000.69690.0000080,my,00.04.450.04.45
Mn1_3Mn0.000000.000000.6969080,my,00.00.00.00.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mX5+ 6 2 special primary 3


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Comments (symmetry):

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