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

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Mn6Ni16Si7 (#1.455)

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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: 50 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
11.1198(4) 11.1198 11.1198 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PA21/c (#14.83) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-c,-a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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)0.000000.000008mx,my,0-0.74-4.680.04.74
Mn1_2Mn0.000000.696900.000008mx,my,0-0.744.680.04.74
Mn1_3Mn0.000000.000000.696908mx,my,00.00.650.00.65

    [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 general primary 6


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Comments (symmetry):

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